N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride

C21H24ClN — CID 175678820

IUPACN-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
SMILESCC(NCCCc1ccccc1)c1cccc2ccccc12.Cl
InChIInChI=1S/C21H23N.ClH/c1-17(22-16-8-11-18-9-3-2-4-10-18)20-15-7-13-19-12-5-6-14-21(19)20;/h2-7,9-10,12-15,17,22H,8,11,16H2,1H3;1H
InChIKeySAAIOHVJDLNWAB-UHFFFAOYSA-N
MW325.88 g/mol
LogP5.55
Rot. Bonds6

About N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride

N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride (PubChem CID 175678820) has the molecular formula C21H24ClN and a molecular weight of 325.88 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
PubChem CID175678820
Molecular FormulaC21H24ClN
Molecular Weight325.88 g/mol
Exact Mass325.16
IUPAC NameN-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
SMILESCC(NCCCc1ccccc1)c1cccc2ccccc12.Cl
InChIInChI=1S/C21H23N.ClH/c1-17(22-16-8-11-18-9-3-2-4-10-18)20-15-7-13-19-12-5-6-14-21(19)20;/h2-7,9-10,12-15,17,22H,8,11,16H2,1H3;1H
InChIKeySAAIOHVJDLNWAB-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.88
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride 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

3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 71020754
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide
CID 9397422
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 54480749
2-[[2-methyl-2-[4-[3-(1-naphthalen-1-ylethylamino)propyl]phenyl]propanoyl]amino]acetic acid
CID 67287623
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
N-[(1R)-1-naphthalen-1-ylethyl]-3-[2,3,4,6-tetradeuterio-5-(trifluoromethyl)phenyl]propan-1-amine
CID 46241260
2-ethyl-3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]propyl]benzoic acid
CID 67287923
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
CID 43081126

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride (CID 175678820) is N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride is CC(NCCCc1ccccc1)c1cccc2ccccc12.Cl.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride?
The InChIKey is SAAIOHVJDLNWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N.ClH/c1-17(22-16-8-11-18-9-3-2-4-10-18)20-15-7-13-19-12-5-6-14-21(19)20;/h2-7,9-10,12-15,17,22H,8,11,16H2,1H3;1H.
What are the key properties of N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride?
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 175678820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).