7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C19H23NO2 — CID 15718631

IUPAC7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CC(CNCC(O)c1ccccc1)CC2
InChIInChI=1S/C19H23NO2/c21-18-9-8-15-7-6-14(10-17(15)11-18)12-20-13-19(22)16-4-2-1-3-5-16/h1-5,8-9,11,14,19-22H,6-7,10,12-13H2
InChIKeyMBBZRPZVQCLTRW-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.82
Rot. Bonds5

About 7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol

7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 15718631) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID15718631
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CC(CNCC(O)c1ccccc1)CC2
InChIInChI=1S/C19H23NO2/c21-18-9-8-15-7-6-14(10-17(15)11-18)12-20-13-19(22)16-4-2-1-3-5-16/h1-5,8-9,11,14,19-22H,6-7,10,12-13H2
InChIKeyMBBZRPZVQCLTRW-UHFFFAOYSA-N
XLogP2.82
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

(7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10085243
1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol
CID 15718633
2-[[7-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 15718634
7-[2-(2-hydroxy-2-phenylethyl)pyrrol-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 57141317
4-[2-(cyclopropylmethylamino)-1-hydroxyethyl]phenol
CID 130406696
(7S)-7-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15718602
ethyl 3-[7-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate
CID 54414859
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
ethyl 3-[6-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate
CID 19386066
(1R)-2-[[(2S)-7-(2-hydroxyethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-1-phenylethanol
CID 11809585
(7S)-7-[[(2S)-2-(5,6-dichloro-3-pyridinyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 87947559
2-[[(2-hydroxy-2-phenylethyl)amino]methyl]cyclohexan-1-one
CID 110176156

Frequently Asked Questions

What is the IUPAC name of 7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 15718631) is 7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CC(CNCC(O)c1ccccc1)CC2.
What is the InChIKey of 7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is MBBZRPZVQCLTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18-9-8-15-7-6-14(10-17(15)11-18)12-20-13-19(22)16-4-2-1-3-5-16/h1-5,8-9,11,14,19-22H,6-7,10,12-13H2.
What are the key properties of 7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 297.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 15718631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).