2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine

C18H21Cl2N — CID 79436816

IUPAC2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C18H21Cl2N/c1-2-10-21-13-15(17-8-3-4-9-18(17)20)11-14-6-5-7-16(19)12-14/h3-9,12,15,21H,2,10-11,13H2,1H3
InChIKeySVGVYIDXJQIJON-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.32
Rot. Bonds7

About 2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine

2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine (PubChem CID 79436816) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
PubChem CID79436816
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C18H21Cl2N/c1-2-10-21-13-15(17-8-3-4-9-18(17)20)11-14-6-5-7-16(19)12-14/h3-9,12,15,21H,2,10-11,13H2,1H3
InChIKeySVGVYIDXJQIJON-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.32
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-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79436263
4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81015822
3-(2-bromophenyl)-2-(2-chlorophenyl)-N-propylpropan-1-amine
CID 79436032
2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
CID 79436045
2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 79436436
2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644237
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
CID 79436264
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436036
2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine
CID 63522811
2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79443388
2-[(3-chlorophenyl)methyl]-4-ethoxy-N-propylbutan-1-amine
CID 62515777

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine (CID 79436816) is 2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine is CCCNCC(Cc1cccc(Cl)c1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine?
The InChIKey is SVGVYIDXJQIJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-2-10-21-13-15(17-8-3-4-9-18(17)20)11-14-6-5-7-16(19)12-14/h3-9,12,15,21H,2,10-11,13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine?
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 79436816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).