1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine

C19H24ClN — CID 115811575

IUPAC1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)C(CC)c1ccccc1
InChIInChI=1S/C19H24ClN/c1-3-13-21-19(16-11-8-12-17(20)14-16)18(4-2)15-9-6-5-7-10-15/h5-12,14,18-19,21H,3-4,13H2,1-2H3
InChIKeyVKHRRLTTYYXQHL-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.57
Rot. Bonds7

About 1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine

1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine (PubChem CID 115811575) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
PubChem CID115811575
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)C(CC)c1ccccc1
InChIInChI=1S/C19H24ClN/c1-3-13-21-19(16-11-8-12-17(20)14-16)18(4-2)15-9-6-5-7-10-15/h5-12,14,18-19,21H,3-4,13H2,1-2H3
InChIKeyVKHRRLTTYYXQHL-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-N-propylheptan-4-amine
CID 83051541
1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115801219
1-(3-chlorothiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 80529506
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
3-phenyl-N-propylpentan-2-amine
CID 66438754
N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 60819521
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
4-(3-chlorophenyl)-N-propylpentan-2-amine
CID 64721439
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 63502079
1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 43497928
1-(4-bromo-5-methylthiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 102827853

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine (CID 115811575) is 1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine is CCCNC(c1cccc(Cl)c1)C(CC)c1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine?
The InChIKey is VKHRRLTTYYXQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-13-21-19(16-11-8-12-17(20)14-16)18(4-2)15-9-6-5-7-10-15/h5-12,14,18-19,21H,3-4,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine?
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 115811575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).