1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine

C15H25ClN2O — CID 82953010

IUPAC1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCOCCN(CCC(N)c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H25ClN2O/c1-12(2)18(10-11-19-3)9-8-15(17)13-6-4-5-7-14(13)16/h4-7,12,15H,8-11,17H2,1-3H3
InChIKeyKBHIUBGVHXSAKV-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.09
Rot. Bonds8

About 1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine

1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 82953010) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID82953010
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCOCCN(CCC(N)c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H25ClN2O/c1-12(2)18(10-11-19-3)9-8-15(17)13-6-4-5-7-14(13)16/h4-7,12,15H,8-11,17H2,1-3H3
InChIKeyKBHIUBGVHXSAKV-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'-(2-methoxyethyl)-N'-propan-2-ylpropane-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-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
CID 62642834
1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643467
N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82951855
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
CID 62630165
1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644408
1-(2-chlorophenyl)-2-(methoxymethoxy)ethanamine
CID 89348696
1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine
CID 65092620
2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol
CID 62642938
1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625043

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine (CID 82953010) is 1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine is COCCN(CCC(N)c1ccccc1Cl)C(C)C.
What is the InChIKey of 1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is KBHIUBGVHXSAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-12(2)18(10-11-19-3)9-8-15(17)13-6-4-5-7-14(13)16/h4-7,12,15H,8-11,17H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine?
1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-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'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 82953010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).