1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine

C15H24ClNO — CID 115845267

IUPAC1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1ccc(Cl)cc1OC
InChIInChI=1S/C15H24ClNO/c1-5-6-11(2)9-14(17-3)13-8-7-12(16)10-15(13)18-4/h7-8,10-11,14,17H,5-6,9H2,1-4H3
InChIKeyNOAZPQOPZJBXJT-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.44
Rot. Bonds7

About 1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine

1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine (PubChem CID 115845267) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
PubChem CID115845267
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1ccc(Cl)cc1OC
InChIInChI=1S/C15H24ClNO/c1-5-6-11(2)9-14(17-3)13-8-7-12(16)10-15(13)18-4/h7-8,10-11,14,17H,5-6,9H2,1-4H3
InChIKeyNOAZPQOPZJBXJT-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol
CID 115788971
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845507
N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine
CID 106792257
[1-(2-methoxy-4-methylphenyl)-3-methylhexyl]hydrazine
CID 106793869
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
CID 115845367
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 114978300
1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013762
1-(5-chloro-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948837
1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845233
1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine
CID 107945526
2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 115786880

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine (CID 115845267) is 1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine is CCCC(C)CC(NC)c1ccc(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine?
The InChIKey is NOAZPQOPZJBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-6-11(2)9-14(17-3)13-8-7-12(16)10-15(13)18-4/h7-8,10-11,14,17H,5-6,9H2,1-4H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine?
1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine is sourced from PubChem (CID 115845267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).