1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine

C17H28ClN — CID 114874585

IUPAC1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C17H28ClN/c1-6-8-19-17(9-12(3)7-2)15-10-13(4)14(5)11-16(15)18/h10-12,17,19H,6-9H2,1-5H3
InChIKeyNEVXPFGXIQYSIJ-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.43
Rot. Bonds7

About 1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine

1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 114874585) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID114874585
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C17H28ClN/c1-6-8-19-17(9-12(3)7-2)15-10-13(4)14(5)11-16(15)18/h10-12,17,19H,6-9H2,1-5H3
InChIKeyNEVXPFGXIQYSIJ-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874372
1-(2-chloro-4,5-dimethylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 115484152
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114886503
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
CID 114874516
1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874508
3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103302896
N-[1-(2-chloro-4,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
CID 115484151
1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114330805
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
CID 102841960

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine (CID 114874585) is 1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cc(C)c(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is NEVXPFGXIQYSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-6-8-19-17(9-12(3)7-2)15-10-13(4)14(5)11-16(15)18/h10-12,17,19H,6-9H2,1-5H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine?
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114874585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).