4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine

C13H20ClNO2 — CID 83943624

IUPAC4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine
SMILESCOc1cc(Cl)c(C(C)CCCN)cc1OC
InChIInChI=1S/C13H20ClNO2/c1-9(5-4-6-15)10-7-12(16-2)13(17-3)8-11(10)14/h7-9H,4-6,15H2,1-3H3
InChIKeyJQEFUNPUXLDONJ-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.20
Rot. Bonds6

About 4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine

4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine (PubChem CID 83943624) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine
PubChem CID83943624
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine
SMILESCOc1cc(Cl)c(C(C)CCCN)cc1OC
InChIInChI=1S/C13H20ClNO2/c1-9(5-4-6-15)10-7-12(16-2)13(17-3)8-11(10)14/h7-9H,4-6,15H2,1-3H3
InChIKeyJQEFUNPUXLDONJ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
2,4-diamino-1-(2-chloro-4,5-dimethoxyphenyl)butan-1-ol
CID 83943587
4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
CID 112512089
1-chloro-2-[(Z)-hex-4-en-2-yl]-4,5-dimethoxybenzene
CID 83943646
5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
CID 105426015
3-(2-chloro-4,5-dimethoxyphenyl)butanoic acid
CID 83959363
4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 83921087
1-(5-chloro-2-methoxy-4-methylphenyl)butane-1,4-diamine
CID 116933715
3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
CID 117382187
1-(2-chloro-4,5-dimethoxyphenyl)-N-methylethanamine
CID 43486339
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine
CID 117306573

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine?
The IUPAC name of 4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine (CID 83943624) is 4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine.
What is the SMILES notation for 4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine?
The canonical SMILES for 4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine is COc1cc(Cl)c(C(C)CCCN)cc1OC.
What is the InChIKey of 4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine?
The InChIKey is JQEFUNPUXLDONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-9(5-4-6-15)10-7-12(16-2)13(17-3)8-11(10)14/h7-9H,4-6,15H2,1-3H3.
What are the key properties of 4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine?
4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine has a molecular weight of 257.76 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine is sourced from PubChem (CID 83943624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).