1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine

C13H21ClN2O2 — CID 63631489

IUPAC1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine
SMILESCCN(C)C(CN)c1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C13H21ClN2O2/c1-5-16(2)10(8-15)9-6-7-11(17-3)13(18-4)12(9)14/h6-7,10H,5,8,15H2,1-4H3
InChIKeyDGNWUYZOGHHUGZ-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.31
Rot. Bonds6

About 1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine

1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine (PubChem CID 63631489) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine
PubChem CID63631489
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine
SMILESCCN(C)C(CN)c1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C13H21ClN2O2/c1-5-16(2)10(8-15)9-6-7-11(17-3)13(18-4)12(9)14/h6-7,10H,5,8,15H2,1-4H3
InChIKeyDGNWUYZOGHHUGZ-UHFFFAOYSA-N
XLogP2.31
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-3,4-dimethoxyphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 63630963
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 171221538
3-[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377157
2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 63630984
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 171247035
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171221545
1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697240
methyl 4-amino-3-(2-chloro-3,4-dimethoxyphenyl)butanoate
CID 66098501
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 63631314
(1R,2S)-1-amino-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171261628
1-(1-bromoethyl)-2-chloro-3,4-dimethoxybenzene
CID 174509995

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine (CID 63631489) is 1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine is CCN(C)C(CN)c1ccc(OC)c(OC)c1Cl.
What is the InChIKey of 1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine?
The InChIKey is DGNWUYZOGHHUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-5-16(2)10(8-15)9-6-7-11(17-3)13(18-4)12(9)14/h6-7,10H,5,8,15H2,1-4H3.
What are the key properties of 1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine?
1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine has a molecular weight of 272.78 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 63631489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).