1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine

C13H20ClNO — CID 79697774

IUPAC1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H20ClNO/c1-4-5-6-12(15-2)10-7-8-11(14)13(9-10)16-3/h7-9,12,15H,4-6H2,1-3H3
InChIKeyOCKJBMFAXTXMID-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.80
Rot. Bonds6

About 1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine

1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine (PubChem CID 79697774) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
PubChem CID79697774
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H20ClNO/c1-4-5-6-12(15-2)10-7-8-11(14)13(9-10)16-3/h7-9,12,15H,4-6H2,1-3H3
InChIKeyOCKJBMFAXTXMID-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methylphenyl)-N-methylpentan-1-amine
CID 115832927
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-propylsulfanylethanamine
CID 79697204
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 79700129
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine
CID 43488519
[4-chloro-1-(4-chloro-3-methoxyphenyl)butyl]hydrazine
CID 105235527
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine (CID 79697774) is 1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine is CCCCC(NC)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine?
The InChIKey is OCKJBMFAXTXMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-5-6-12(15-2)10-7-8-11(14)13(9-10)16-3/h7-9,12,15H,4-6H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine?
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine has a molecular weight of 241.76 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 79697774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).