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

C19H24ClN — CID 115801219

IUPAC1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1Cl)C(CC)c1ccccc1
InChIInChI=1S/C19H24ClN/c1-3-14-21-19(17-12-8-9-13-18(17)20)16(4-2)15-10-6-5-7-11-15/h5-13,16,19,21H,3-4,14H2,1-2H3
InChIKeyAGXVJKCYHPSFHQ-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.57
Rot. Bonds7

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

1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine (PubChem CID 115801219) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
PubChem CID115801219
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1Cl)C(CC)c1ccccc1
InChIInChI=1S/C19H24ClN/c1-3-14-21-19(17-12-8-9-13-18(17)20)16(4-2)15-10-6-5-7-11-15/h5-13,16,19,21H,3-4,14H2,1-2H3
InChIKeyAGXVJKCYHPSFHQ-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

1-(3-chlorothiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 80529506
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575
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-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
3-phenyl-N-propylpentan-2-amine
CID 66438754
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 115860421
1-(cyclopenten-1-yl)-2-phenyl-N-propylbutan-1-amine
CID 63505814
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426
N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974
N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 107102062

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine (CID 115801219) is 1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine is CCCNC(c1ccccc1Cl)C(CC)c1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine?
The InChIKey is AGXVJKCYHPSFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-14-21-19(17-12-8-9-13-18(17)20)16(4-2)15-10-6-5-7-11-15/h5-13,16,19,21H,3-4,14H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine?
1-(2-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-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 115801219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).