6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine

C14H22ClNO — CID 83937511

IUPAC6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine
SMILESCCC(N)CCCc1cc(Cl)c(C)cc1OC
InChIInChI=1S/C14H22ClNO/c1-4-12(16)7-5-6-11-9-13(15)10(2)8-14(11)17-3/h8-9,12H,4-7,16H2,1-3H3
InChIKeyJWVXHSVLEYIZOD-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.72
Rot. Bonds6

About 6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine

6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine (PubChem CID 83937511) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine
PubChem CID83937511
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine
SMILESCCC(N)CCCc1cc(Cl)c(C)cc1OC
InChIInChI=1S/C14H22ClNO/c1-4-12(16)7-5-6-11-9-13(15)10(2)8-14(11)17-3/h8-9,12H,4-7,16H2,1-3H3
InChIKeyJWVXHSVLEYIZOD-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(5-chloro-2-methoxy-4-methylphenyl)pentanoic acid
CID 112519884
4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
CID 82473812
1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine
CID 83943152
1-(6-bromohexyl)-5-chloro-2-methoxy-4-methylbenzene
CID 18921839
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-1-ol
CID 98015509
1-(5-chloro-2-methoxy-4-methylphenyl)heptane-3,4-diol
CID 83937570
1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
CID 83927771
5-(5-chloro-2-methoxy-4-methylphenyl)pentane-2,3-diol
CID 83937566
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-one
CID 83937456
1-(5-chloro-2-methoxy-4-methylphenyl)heptan-4-one
CID 83937509
6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine
CID 83937719
4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine
CID 82477650

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine?
The IUPAC name of 6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine (CID 83937511) is 6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine.
What is the SMILES notation for 6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine?
The canonical SMILES for 6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine is CCC(N)CCCc1cc(Cl)c(C)cc1OC.
What is the InChIKey of 6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine?
The InChIKey is JWVXHSVLEYIZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-12(16)7-5-6-11-9-13(15)10(2)8-14(11)17-3/h8-9,12H,4-7,16H2,1-3H3.
What are the key properties of 6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine?
6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine has a molecular weight of 255.79 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine is sourced from PubChem (CID 83937511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).