1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine

C14H22ClNO — CID 115845367

IUPAC1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO/c1-4-5-10(2)8-13(16)12-9-11(15)6-7-14(12)17-3/h6-7,9-10,13H,4-5,8,16H2,1-3H3
InChIKeyZAJNIHQZLRMBLL-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.17
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine

1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine (PubChem CID 115845367) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
PubChem CID115845367
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO/c1-4-5-10(2)8-13(16)12-9-11(15)6-7-14(12)17-3/h6-7,9-10,13H,4-5,8,16H2,1-3H3
InChIKeyZAJNIHQZLRMBLL-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845507
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate
CID 113425500
1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine
CID 104545774
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
4-chloro-2-(1-chloro-2-methylpentyl)-1-methoxybenzene
CID 104546269
1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
CID 115845654
1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol
CID 115788971
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 105141041

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine (CID 115845367) is 1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine is CCCC(C)CC(N)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine?
The InChIKey is ZAJNIHQZLRMBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-5-10(2)8-13(16)12-9-11(15)6-7-14(12)17-3/h6-7,9-10,13H,4-5,8,16H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine?
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine is sourced from PubChem (CID 115845367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).