1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine

C16H26ClN — CID 106857235

IUPAC1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1ccc(C)cc1Cl
InChIInChI=1S/C16H26ClN/c1-5-10-18-16(9-6-12(2)3)14-8-7-13(4)11-15(14)17/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3
InChIKeyKFHGFDBBYYBNLH-UHFFFAOYSA-N
MW267.84 g/mol
LogP5.13
Rot. Bonds7

About 1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine

1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine (PubChem CID 106857235) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
PubChem CID106857235
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)c1ccc(C)cc1Cl
InChIInChI=1S/C16H26ClN/c1-5-10-18-16(9-6-12(2)3)14-8-7-13(4)11-15(14)17/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3
InChIKeyKFHGFDBBYYBNLH-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.84
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-propyloctan-1-amine
CID 106857214
1-(2-chloro-4-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 106858855
1-(2-chloro-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106858377
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 106861045
1-(2-chloro-4-methylphenyl)-N-ethyloctan-1-amine
CID 106857215
1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028577
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064044
1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine
CID 107994927
4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 55186996

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine (CID 106857235) is 1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)C)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is KFHGFDBBYYBNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-5-10-18-16(9-6-12(2)3)14-8-7-13(4)11-15(14)17/h7-8,11-12,16,18H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine?
1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 106857235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).