N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C19H22ClN — CID 115418524

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(N[C@@H](C)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C19H22ClN/c1-13-11-12-19(17-9-4-3-7-15(13)17)21-14(2)16-8-5-6-10-18(16)20/h3-10,13-14,19,21H,11-12H2,1-2H3/t13?,14-,19?/m0/s1
InChIKeyTYAMZVNUJDIADZ-BIWSTMPVSA-N
MW299.85 g/mol
LogP5.63
Rot. Bonds3

About N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418524) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418524
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(N[C@@H](C)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C19H22ClN/c1-13-11-12-19(17-9-4-3-7-15(13)17)21-14(2)16-8-5-6-10-18(16)20/h3-10,13-14,19,21H,11-12H2,1-2H3/t13?,14-,19?/m0/s1
InChIKeyTYAMZVNUJDIADZ-BIWSTMPVSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418288
4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305898
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81376952
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418510
N-[1-(furan-2-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81302193
4-methyl-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301993
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956089
N-[1-(2-chlorophenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43081366

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418524) is N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CCC(N[C@@H](C)c2ccccc2Cl)c2ccccc21.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is TYAMZVNUJDIADZ-BIWSTMPVSA-N. The full InChI is InChI=1S/C19H22ClN/c1-13-11-12-19(17-9-4-3-7-15(13)17)21-14(2)16-8-5-6-10-18(16)20/h3-10,13-14,19,21H,11-12H2,1-2H3/t13?,14-,19?/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 299.85 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).