1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine

C13H20ClNO2 — CID 116718489

IUPAC1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine
SMILESCCCC(OC)C(N)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H20ClNO2/c1-4-5-11(16-2)13(15)9-6-7-10(14)12(8-9)17-3/h6-8,11,13H,4-5,15H2,1-3H3
InChIKeyWQEQNACYOFNALM-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.16
Rot. Bonds6

About 1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine

1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine (PubChem CID 116718489) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine
PubChem CID116718489
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine
SMILESCCCC(OC)C(N)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H20ClNO2/c1-4-5-11(16-2)13(15)9-6-7-10(14)12(8-9)17-3/h6-8,11,13H,4-5,15H2,1-3H3
InChIKeyWQEQNACYOFNALM-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2,2-dimethoxyethanamine
CID 79698300
1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine
CID 116715205
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970
(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171211119
1-(4-chloro-3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105007097
(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 79697692
(1R,2S)-1-amino-1-(4-chloro-3-methoxyphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171264476
1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine
CID 116773364
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
2-methoxy-1-(2-methoxyphenyl)pentan-1-amine
CID 116718510

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine (CID 116718489) is 1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine is CCCC(OC)C(N)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine?
The InChIKey is WQEQNACYOFNALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-4-5-11(16-2)13(15)9-6-7-10(14)12(8-9)17-3/h6-8,11,13H,4-5,15H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine?
1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine has a molecular weight of 257.76 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine is sourced from PubChem (CID 116718489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).