1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine

C16H26ClN — CID 114246234

IUPAC1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine
SMILESCCCCC(C)C(NCCC)c1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-4-6-7-13(3)16(18-12-5-2)14-8-10-15(17)11-9-14/h8-11,13,16,18H,4-7,12H2,1-3H3
InChIKeyYIOMBGFHFDLPNK-UHFFFAOYSA-N
MW267.84 g/mol
LogP5.21
Rot. Bonds8

About 1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine

1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine (PubChem CID 114246234) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine
PubChem CID114246234
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine
SMILESCCCCC(C)C(NCCC)c1ccc(Cl)cc1
InChIInChI=1S/C16H26ClN/c1-4-6-7-13(3)16(18-12-5-2)14-8-10-15(17)11-9-14/h8-11,13,16,18H,4-7,12H2,1-3H3
InChIKeyYIOMBGFHFDLPNK-UHFFFAOYSA-N
XLogP5.21
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 ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845559
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996
2-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-1-amine
CID 114246305
5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
CID 104845545
1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 79747198
1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
CID 114246559
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine (CID 114246234) is 1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine is CCCCC(C)C(NCCC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine?
The InChIKey is YIOMBGFHFDLPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-4-6-7-13(3)16(18-12-5-2)14-8-10-15(17)11-9-14/h8-11,13,16,18H,4-7,12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine?
1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine has a molecular weight of 267.84 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 114246234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).