N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride

C17H21Cl2N — CID 17208769

IUPACN-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride
SMILESCC(CNCCc1ccc(Cl)cc1)c1ccccc1.Cl
InChIInChI=1S/C17H20ClN.ClH/c1-14(16-5-3-2-4-6-16)13-19-12-11-15-7-9-17(18)10-8-15;/h2-10,14,19H,11-13H2,1H3;1H
InChIKeyXLOXUEZVDYWRLF-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.70
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride

N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride (PubChem CID 17208769) has the molecular formula C17H21Cl2N and a molecular weight of 310.27 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride
PubChem CID17208769
Molecular FormulaC17H21Cl2N
Molecular Weight310.27 g/mol
Exact Mass309.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride
SMILESCC(CNCCc1ccc(Cl)cc1)c1ccccc1.Cl
InChIInChI=1S/C17H20ClN.ClH/c1-14(16-5-3-2-4-6-16)13-19-12-11-15-7-9-17(18)10-8-15;/h2-10,14,19H,11-13H2,1H3;1H
InChIKeyXLOXUEZVDYWRLF-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.70
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

2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine
CID 144821853
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 62315355
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577747
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethylpentan-1-amine
CID 114200118
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene
CID 58698493
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
2-[[2-(4-chlorophenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250406

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride (CID 17208769) is N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride is CC(CNCCc1ccc(Cl)cc1)c1ccccc1.Cl.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride?
The InChIKey is XLOXUEZVDYWRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN.ClH/c1-14(16-5-3-2-4-6-16)13-19-12-11-15-7-9-17(18)10-8-15;/h2-10,14,19H,11-13H2,1H3;1H.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride?
N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride has a molecular weight of 310.27 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 17208769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).