1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine

C12H17Cl2NO — CID 79616818

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine
SMILESCCNC(c1cccc(Cl)c1Cl)C(C)OC
InChIInChI=1S/C12H17Cl2NO/c1-4-15-12(8(2)16-3)9-6-5-7-10(13)11(9)14/h5-8,12,15H,4H2,1-3H3
InChIKeyMEWMSQZUQMSVHC-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.68
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine

1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine (PubChem CID 79616818) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine
PubChem CID79616818
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine
SMILESCCNC(c1cccc(Cl)c1Cl)C(C)OC
InChIInChI=1S/C12H17Cl2NO/c1-4-15-12(8(2)16-3)9-6-5-7-10(13)11(9)14/h5-8,12,15H,4H2,1-3H3
InChIKeyMEWMSQZUQMSVHC-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine 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-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616948
1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 115851148
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493376
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616949
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
[1-(2,3-dichlorophenyl)-2-methoxybutyl]hydrazine
CID 105270727
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017361
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 115801757

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine (CID 79616818) is 1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine is CCNC(c1cccc(Cl)c1Cl)C(C)OC.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine?
The InChIKey is MEWMSQZUQMSVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-4-15-12(8(2)16-3)9-6-5-7-10(13)11(9)14/h5-8,12,15H,4H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine?
1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine has a molecular weight of 262.18 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine is sourced from PubChem (CID 79616818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).