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

C18H21N — CID 78956142

IUPACN-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC[C@H](NC1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C18H21N/c1-14(15-8-3-2-4-9-15)19-18-13-7-11-16-10-5-6-12-17(16)18/h2-6,8-10,12,14,18-19H,7,11,13H2,1H3/t14-,18?/m0/s1
InChIKeyBCEOTTKAPJSYAO-PIVQAISJSA-N
MW251.37 g/mol
LogP4.41
Rot. Bonds3

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

N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 78956142) 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-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID78956142
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC[C@H](NC1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C18H21N/c1-14(15-8-3-2-4-9-15)19-18-13-7-11-16-10-5-6-12-17(16)18/h2-6,8-10,12,14,18-19H,7,11,13H2,1H3/t14-,18?/m0/s1
InChIKeyBCEOTTKAPJSYAO-PIVQAISJSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-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-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63449232
(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-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81406890
4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide
CID 97185991
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43111218
N-[(1S)-1-(3-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 81353260
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43204364
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83057984
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 78956142) is N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is C[C@H](NC1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is BCEOTTKAPJSYAO-PIVQAISJSA-N. The full InChI is InChI=1S/C18H21N/c1-14(15-8-3-2-4-9-15)19-18-13-7-11-16-10-5-6-12-17(16)18/h2-6,8-10,12,14,18-19H,7,11,13H2,1H3/t14-,18?/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.41, 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-1-amine is sourced from PubChem (CID 78956142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).