N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine

C17H20ClN — CID 63412426

IUPACN-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H20ClN/c1-2-12-19-17(13-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,17,19H,2,12-13H2,1H3
InChIKeyVJNMQMUASHGIIZ-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.62
Rot. Bonds6

About N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine

N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine (PubChem CID 63412426) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
PubChem CID63412426
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H20ClN/c1-2-12-19-17(13-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,17,19H,2,12-13H2,1H3
InChIKeyVJNMQMUASHGIIZ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
CID 115484151
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074
N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107097272
N-[1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylethyl]propan-1-amine
CID 106762282
N-[2-(4-chlorophenyl)-1-(2-methylsulfanylphenyl)ethyl]propan-1-amine
CID 79213464
N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63528081
N-[1-(3-chloro-4-iodophenyl)-2-phenylethyl]propan-1-amine
CID 103214524
1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 107102031

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine (CID 63412426) is N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine is CCCNC(Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine?
The InChIKey is VJNMQMUASHGIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-2-12-19-17(13-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,17,19H,2,12-13H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine?
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 63412426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).