(2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

C34H44N2O6 — CID 157334172

IUPAC(2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESCOc1cccc2c1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2.COc1cccc2c1C[C@@H](O)[C@H](NCc1ccccc1)C2
InChIInChI=1S/C18H21NO2.C16H23NO4/c1-21-18-9-5-8-14-10-16(17(20)11-15(14)18)19-12-13-6-3-2-4-7-13;1-16(2,3)21-15(19)17-12-8-10-6-5-7-14(20-4)11(10)9-13(12)18/h2-9,16-17,19-20H,10-12H2,1H3;5-7,12-13,18H,8-9H2,1-4H3,(H,17,19)/t16-,17-;12-,13-/m11/s1
InChIKeyBFQFHLKRCCJUCB-VEGQHCLKSA-N
MW576.73 g/mol
LogP4.36
Rot. Bonds6

About (2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

(2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (PubChem CID 157334172) has the molecular formula C34H44N2O6 and a molecular weight of 576.73 g/mol. Its IUPAC name is (2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.

Molecular Properties

Compound Name(2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
PubChem CID157334172
Molecular FormulaC34H44N2O6
Molecular Weight576.73 g/mol
Exact Mass576.32
IUPAC Name(2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESCOc1cccc2c1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2.COc1cccc2c1C[C@@H](O)[C@H](NCc1ccccc1)C2
InChIInChI=1S/C18H21NO2.C16H23NO4/c1-21-18-9-5-8-14-10-16(17(20)11-15(14)18)19-12-13-6-3-2-4-7-13;1-16(2,3)21-15(19)17-12-8-10-6-5-7-14(20-4)11(10)9-13(12)18/h2-9,16-17,19-20H,10-12H2,1H3;5-7,12-13,18H,8-9H2,1-4H3,(H,17,19)/t16-,17-;12-,13-/m11/s1
InChIKeyBFQFHLKRCCJUCB-VEGQHCLKSA-N
XLogP4.36
TPSA109.28 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.73
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydrophenanthren-2-yl]carbamate
CID 22843619
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]amino]methyl]benzoic acid
CID 107238255
tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate
CID 68550371
tert-butyl N-[4-(benzylamino)cyclohex-2-en-1-yl]carbamate
CID 130003473
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopropyl]carbamate
CID 107237946
(2R)-N-benzyl-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 22866782
tert-butyl N-[2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopropyl]carbamate
CID 107238102
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
benzyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 59254368
tert-butyl N-[2-[[3-(trifluoromethyl)phenyl]methylamino]cyclopropyl]carbamate
CID 107238059
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The IUPAC name of (2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (CID 157334172) is (2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.
What is the SMILES notation for (2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The canonical SMILES for (2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is COc1cccc2c1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2.COc1cccc2c1C[C@@H](O)[C@H](NCc1ccccc1)C2.
What is the InChIKey of (2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The InChIKey is BFQFHLKRCCJUCB-VEGQHCLKSA-N. The full InChI is InChI=1S/C18H21NO2.C16H23NO4/c1-21-18-9-5-8-14-10-16(17(20)11-15(14)18)19-12-13-6-3-2-4-7-13;1-16(2,3)21-15(19)17-12-8-10-6-5-7-14(20-4)11(10)9-13(12)18/h2-9,16-17,19-20H,10-12H2,1H3;5-7,12-13,18H,8-9H2,1-4H3,(H,17,19)/t16-,17-;12-,13-/m11/s1.
What are the key properties of (2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
(2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate has a molecular weight of 576.73 g/mol, XLogP of 4.36, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(benzylamino)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol;tert-butyl N-[(2R,3R)-3-hydroxy-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is sourced from PubChem (CID 157334172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).