1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine

C15H25ClN2O — CID 62643467

IUPAC1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccccc1Cl)C(C)COC
InChIInChI=1S/C15H25ClN2O/c1-4-18(12(2)11-19-3)10-9-15(17)13-7-5-6-8-14(13)16/h5-8,12,15H,4,9-11,17H2,1-3H3
InChIKeyZBQNVGAZBAKWCW-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.09
Rot. Bonds8

About 1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine

1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine (PubChem CID 62643467) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
PubChem CID62643467
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccccc1Cl)C(C)COC
InChIInChI=1S/C15H25ClN2O/c1-4-18(12(2)11-19-3)10-9-15(17)13-7-5-6-8-14(13)16/h5-8,12,15H,4,9-11,17H2,1-3H3
InChIKeyZBQNVGAZBAKWCW-UHFFFAOYSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-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

1-(2-bromophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 55098123
1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82953010
1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
CID 62642834
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134
1-(2-chlorophenyl)-2-(methoxymethoxy)ethanamine
CID 89348696
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol
CID 62642938
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937
3-chloro-2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]aniline
CID 63747634
1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63939293
3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
CID 62630165

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine (CID 62643467) is 1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine is CCN(CCC(N)c1ccccc1Cl)C(C)COC.
What is the InChIKey of 1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The InChIKey is ZBQNVGAZBAKWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-4-18(12(2)11-19-3)10-9-15(17)13-7-5-6-8-14(13)16/h5-8,12,15H,4,9-11,17H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine has a molecular weight of 284.83 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 62643467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).