3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine

C21H22ClN — CID 54480749

IUPAC3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
SMILESC[C@@H](NCCCc1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C21H22ClN/c1-16(19-13-6-10-17-8-2-4-12-20(17)19)23-15-7-11-18-9-3-5-14-21(18)22/h2-6,8-10,12-14,16,23H,7,11,15H2,1H3/t16-/m1/s1
InChIKeyXOVFJALSPQANIT-MRXNPFEDSA-N
MW323.87 g/mol
LogP5.78
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine

3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine (PubChem CID 54480749) has the molecular formula C21H22ClN and a molecular weight of 323.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
PubChem CID54480749
Molecular FormulaC21H22ClN
Molecular Weight323.87 g/mol
Exact Mass323.14
IUPAC Name3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
SMILESC[C@@H](NCCCc1ccccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C21H22ClN/c1-16(19-13-6-10-17-8-2-4-12-20(17)19)23-15-7-11-18-9-3-5-14-21(18)22/h2-6,8-10,12-14,16,23H,7,11,15H2,1H3/t16-/m1/s1
InChIKeyXOVFJALSPQANIT-MRXNPFEDSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.87
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine
CID 129364517
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 95168121
3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride
CID 71723808
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
2-ethyl-3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]propyl]benzoic acid
CID 67287923
3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 71020754
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine
CID 115676904

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine (CID 54480749) is 3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine is C[C@@H](NCCCc1ccccc1Cl)c1cccc2ccccc12.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine?
The InChIKey is XOVFJALSPQANIT-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22ClN/c1-16(19-13-6-10-17-8-2-4-12-20(17)19)23-15-7-11-18-9-3-5-14-21(18)22/h2-6,8-10,12-14,16,23H,7,11,15H2,1H3/t16-/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine?
3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine has a molecular weight of 323.87 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine is sourced from PubChem (CID 54480749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).