1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine

C16H26ClN — CID 114028349

IUPAC1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1ccc(Cl)cc1C
InChIInChI=1S/C16H26ClN/c1-5-18-16(8-6-7-12(2)3)15-10-9-14(17)11-13(15)4/h9-12,16,18H,5-8H2,1-4H3
InChIKeyFCNQVLBASXGLSM-UHFFFAOYSA-N
MW267.84 g/mol
LogP5.13
Rot. Bonds7

About 1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine

1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine (PubChem CID 114028349) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine
PubChem CID114028349
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1ccc(Cl)cc1C
InChIInChI=1S/C16H26ClN/c1-5-18-16(8-6-7-12(2)3)15-10-9-14(17)11-13(15)4/h9-12,16,18H,5-8H2,1-4H3
InChIKeyFCNQVLBASXGLSM-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-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028577
1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114028358
1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
CID 115837624
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine
CID 107994927
1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028600
1-(4-bromo-2-fluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 114906644
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
N-ethyl-1-(2-fluoro-3-methylphenyl)-5-methylhexan-1-amine
CID 105028931
1-(5-chloro-2-fluorophenyl)-N-ethylpentan-1-amine
CID 114886331
1-(5-chloro-2-pyridinyl)-N-ethyl-5-methylhexan-1-amine
CID 83162025
1-(5-chloro-2-methylphenyl)-N-ethylhex-5-en-1-amine
CID 104987125

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine (CID 114028349) is 1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine is CCNC(CCCC(C)C)c1ccc(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine?
The InChIKey is FCNQVLBASXGLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-5-18-16(8-6-7-12(2)3)15-10-9-14(17)11-13(15)4/h9-12,16,18H,5-8H2,1-4H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine?
1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-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-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 114028349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).