1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine

C16H26ClN — CID 63411991

IUPAC1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClN/c1-5-11-18-15(9-10-16(2,3)4)13-7-6-8-14(17)12-13/h6-8,12,15,18H,5,9-11H2,1-4H3
InChIKeyXENVIQRNMTYPMV-UHFFFAOYSA-N
MW267.84 g/mol
LogP5.21
Rot. Bonds6

About 1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine

1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine (PubChem CID 63411991) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
PubChem CID63411991
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClN/c1-5-11-18-15(9-10-16(2,3)4)13-7-6-8-14(17)12-13/h6-8,12,15,18H,5,9-11H2,1-4H3
InChIKeyXENVIQRNMTYPMV-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.84
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63418611
2-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-1-amine
CID 79443240
1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine
CID 63483276
1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 55187933
N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575629
N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81366429
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62624520
1-(3-chlorophenyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-N-propylpropane-1,3-diamine
CID 115987624
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine (CID 63411991) is 1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is XENVIQRNMTYPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-5-11-18-15(9-10-16(2,3)4)13-7-6-8-14(17)12-13/h6-8,12,15,18H,5,9-11H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine?
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 63411991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).