(1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

C21H27NO — CID 1378447

IUPAC(1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(CC[C@@H](C)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C21H27NO/c1-16(10-11-17-12-14-19(23-2)15-13-17)22-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,12-16,21-22H,5,7,9-11H2,1-2H3/t16-,21+/m1/s1
InChIKeyKTPDRCHSIMMQGG-IERDGZPVSA-N
MW309.45 g/mol
LogP4.68
Rot. Bonds6

About (1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 1378447) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID1378447
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(CC[C@@H](C)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C21H27NO/c1-16(10-11-17-12-14-19(23-2)15-13-17)22-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,12-16,21-22H,5,7,9-11H2,1-2H3/t16-,21+/m1/s1
InChIKeyKTPDRCHSIMMQGG-IERDGZPVSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43191940
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705498
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 82946230
N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239668
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262380
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115725728
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 29318003

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 1378447) is (1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc(CC[C@@H](C)N[C@H]2CCCc3ccccc32)cc1.
What is the InChIKey of (1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KTPDRCHSIMMQGG-IERDGZPVSA-N. The full InChI is InChI=1S/C21H27NO/c1-16(10-11-17-12-14-19(23-2)15-13-17)22-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,12-16,21-22H,5,7,9-11H2,1-2H3/t16-,21+/m1/s1.
What are the key properties of (1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 309.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 1378447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).