1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine

C16H26ClN — CID 115846420

IUPAC1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cccc(C)c1Cl
InChIInChI=1S/C16H26ClN/c1-5-10-18-15(11-12(3)6-2)14-9-7-8-13(4)16(14)17/h7-9,12,15,18H,5-6,10-11H2,1-4H3
InChIKeyRGINLZGCZCBZOR-UHFFFAOYSA-N
MW267.84 g/mol
LogP5.13
Rot. Bonds7

About 1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine

1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 115846420) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID115846420
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cccc(C)c1Cl
InChIInChI=1S/C16H26ClN/c1-5-10-18-15(11-12(3)6-2)14-9-7-8-13(4)16(14)17/h7-9,12,15,18H,5-6,10-11H2,1-4H3
InChIKeyRGINLZGCZCBZOR-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-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028424
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
CID 114874516
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124
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-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
1-(2-chloro-3-methylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820969
1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
CID 114982245

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine (CID 115846420) is 1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is RGINLZGCZCBZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-5-10-18-15(11-12(3)6-2)14-9-7-8-13(4)16(14)17/h7-9,12,15,18H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine?
1-(2-chloro-3-methylphenyl)-3-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-3-methylphenyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 115846420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).