N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C18H21N — CID 81351587

IUPACN-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC[C@H](NC1CCc2ccccc2C1)c1ccccc1
InChIInChI=1S/C18H21N/c1-14(15-7-3-2-4-8-15)19-18-12-11-16-9-5-6-10-17(16)13-18/h2-10,14,18-19H,11-13H2,1H3/t14-,18?/m0/s1
InChIKeyGYDFHSIUHZDGIW-PIVQAISJSA-N
MW251.37 g/mol
LogP3.89
Rot. Bonds3

About N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 81351587) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID81351587
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC[C@H](NC1CCc2ccccc2C1)c1ccccc1
InChIInChI=1S/C18H21N/c1-14(15-7-3-2-4-8-15)19-18-12-11-16-9-5-6-10-17(16)13-18/h2-10,14,18-19H,11-13H2,1H3/t14-,18?/m0/s1
InChIKeyGYDFHSIUHZDGIW-PIVQAISJSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81353163
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81367851
N-[1-(3-bromophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43426726
(2S)-5-methyl-N-[(1R)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158552028
5-methoxy-N-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 73455275
N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 54863084
4-(1-phenylethylamino)cyclohexan-1-one
CID 85299534
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81348211
4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol
CID 62303911
N-(1-phenylethyl)cyclododecanamine
CID 60662638
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 82944891
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223105

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 81351587) is N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is C[C@H](NC1CCc2ccccc2C1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is GYDFHSIUHZDGIW-PIVQAISJSA-N. The full InChI is InChI=1S/C18H21N/c1-14(15-7-3-2-4-8-15)19-18-12-11-16-9-5-6-10-17(16)13-18/h2-10,14,18-19H,11-13H2,1H3/t14-,18?/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 81351587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).