1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine

C14H23ClN2O3 — CID 102697240

IUPAC1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NCC(C)OC)c(Cl)c1OC
InChIInChI=1S/C14H23ClN2O3/c1-9(18-2)8-17-11(7-16)10-5-6-12(19-3)14(20-4)13(10)15/h5-6,9,11,17H,7-8,16H2,1-4H3
InChIKeyKIXKVOFUOGICFS-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.98
Rot. Bonds8

About 1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine

1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine (PubChem CID 102697240) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
PubChem CID102697240
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NCC(C)OC)c(Cl)c1OC
InChIInChI=1S/C14H23ClN2O3/c1-9(18-2)8-17-11(7-16)10-5-6-12(19-3)14(20-4)13(10)15/h5-6,9,11,17H,7-8,16H2,1-4H3
InChIKeyKIXKVOFUOGICFS-UHFFFAOYSA-N
XLogP1.98
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine 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

3-[[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
CID 83176914
3-[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377157
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171221545
1-(1-bromoethyl)-2-chloro-3,4-dimethoxybenzene
CID 174509995
1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697102
methyl 4-amino-3-(2-chloro-3,4-dimethoxyphenyl)butanoate
CID 66098501
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
1-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-N-methylethane-1,2-diamine
CID 63631489
1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912491
1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 114075612
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 171247035
2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 66070513

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine (CID 102697240) is 1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine is COc1ccc(C(CN)NCC(C)OC)c(Cl)c1OC.
What is the InChIKey of 1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine?
The InChIKey is KIXKVOFUOGICFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3/c1-9(18-2)8-17-11(7-16)10-5-6-12(19-3)14(20-4)13(10)15/h5-6,9,11,17H,7-8,16H2,1-4H3.
What are the key properties of 1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine?
1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine has a molecular weight of 302.80 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 102697240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).