1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine

C14H20ClNO2 — CID 64906585

IUPAC1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
SMILESCNC(CC1CC1)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C14H20ClNO2/c1-16-12(6-9-4-5-9)10-7-11(15)14(18-3)13(8-10)17-2/h7-9,12,16H,4-6H2,1-3H3
InChIKeyAGOUZTCDUWQFJB-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.42
Rot. Bonds6

About 1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine

1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine (PubChem CID 64906585) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
PubChem CID64906585
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
SMILESCNC(CC1CC1)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C14H20ClNO2/c1-16-12(6-9-4-5-9)10-7-11(15)14(18-3)13(8-10)17-2/h7-9,12,16H,4-6H2,1-3H3
InChIKeyAGOUZTCDUWQFJB-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535
1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
CID 82923305
1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine
CID 79575404
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
1-(3-chloro-4-iodophenyl)-2-cyclopropyl-N-methylethanamine
CID 103215428
(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443
(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
CID 82931298
1-(3,4-dimethoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105141218
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 62601956
1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine
CID 103163381

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine (CID 64906585) is 1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine is CNC(CC1CC1)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine?
The InChIKey is AGOUZTCDUWQFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16-12(6-9-4-5-9)10-7-11(15)14(18-3)13(8-10)17-2/h7-9,12,16H,4-6H2,1-3H3.
What are the key properties of 1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine?
1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine has a molecular weight of 269.77 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 64906585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).