3-(3-chlorophenyl)-N-propylheptan-4-amine

C16H26ClN — CID 83051541

IUPAC3-(3-chlorophenyl)-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClN/c1-4-8-16(18-11-5-2)15(6-3)13-9-7-10-14(17)12-13/h7,9-10,12,15-16,18H,4-6,8,11H2,1-3H3
InChIKeyHXXBFDYXNZLHRO-UHFFFAOYSA-N
MW267.84 g/mol
LogP5.00
Rot. Bonds8

About 3-(3-chlorophenyl)-N-propylheptan-4-amine

3-(3-chlorophenyl)-N-propylheptan-4-amine (PubChem CID 83051541) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-propylheptan-4-amine
PubChem CID83051541
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name3-(3-chlorophenyl)-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClN/c1-4-8-16(18-11-5-2)15(6-3)13-9-7-10-14(17)12-13/h7,9-10,12,15-16,18H,4-6,8,11H2,1-3H3
InChIKeyHXXBFDYXNZLHRO-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.84
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991
3-(4-chlorophenyl)-N-ethylheptan-4-amine
CID 83051946
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
4-(3-chlorophenyl)-N-propylpentan-2-amine
CID 64721439
N-ethyl-3-phenylheptan-4-amine
CID 83051533
7,7-dimethyl-3-phenyl-N-propyloctan-4-amine
CID 115849907
3-(3-chlorophenyl)-N-propylbutan-1-amine
CID 81019397
N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 115812106
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496369

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-propylheptan-4-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-propylheptan-4-amine (CID 83051541) is 3-(3-chlorophenyl)-N-propylheptan-4-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-propylheptan-4-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-propylheptan-4-amine is CCCNC(CCC)C(CC)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-propylheptan-4-amine?
The InChIKey is HXXBFDYXNZLHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-4-8-16(18-11-5-2)15(6-3)13-9-7-10-14(17)12-13/h7,9-10,12,15-16,18H,4-6,8,11H2,1-3H3.
What are the key properties of 3-(3-chlorophenyl)-N-propylheptan-4-amine?
3-(3-chlorophenyl)-N-propylheptan-4-amine has a molecular weight of 267.84 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-propylheptan-4-amine is sourced from PubChem (CID 83051541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).