3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol

C16H27ClN2O — CID 62644404

IUPAC3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol
SMILESCNC(CCN(CCCO)C(C)C)c1ccccc1Cl
InChIInChI=1S/C16H27ClN2O/c1-13(2)19(10-6-12-20)11-9-16(18-3)14-7-4-5-8-15(14)17/h4-5,7-8,13,16,18,20H,6,9-12H2,1-3H3
InChIKeyZHMPHEHSEGVLIG-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.08
Rot. Bonds9

About 3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol

3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol (PubChem CID 62644404) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol
PubChem CID62644404
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol
SMILESCNC(CCN(CCCO)C(C)C)c1ccccc1Cl
InChIInChI=1S/C16H27ClN2O/c1-13(2)19(10-6-12-20)11-9-16(18-3)14-7-4-5-8-15(14)17/h4-5,7-8,13,16,18,20H,6,9-12H2,1-3H3
InChIKeyZHMPHEHSEGVLIG-UHFFFAOYSA-N
XLogP3.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol 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'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62645335
1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 62643934
1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
CID 55099013
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
1-(2-bromophenyl)-N-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62630602
1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63494077
1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 114079767
1-(2-chlorophenyl)-N'-cyclopropyl-N'-ethyl-N-methylpropane-1,3-diamine
CID 62644980
1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412300
3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol
CID 113468616
1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 63493011
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol (CID 62644404) is 3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol is CNC(CCN(CCCO)C(C)C)c1ccccc1Cl.
What is the InChIKey of 3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol?
The InChIKey is ZHMPHEHSEGVLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-13(2)19(10-6-12-20)11-9-16(18-3)14-7-4-5-8-15(14)17/h4-5,7-8,13,16,18,20H,6,9-12H2,1-3H3.
What are the key properties of 3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol?
3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol has a molecular weight of 298.86 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62644404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).