(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine

C13H21ClN2 — CID 28814207

IUPAC(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CC[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2/c1-3-16(4-2)10-9-13(15)11-5-7-12(14)8-6-11/h5-8,13H,3-4,9-10,15H2,1-2H3/t13-/m0/s1
InChIKeyBNFIVUFGLKFWEQ-ZDUSSCGKSA-N
MW240.78 g/mol
LogP3.07
Rot. Bonds6

About (1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine

(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 28814207) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
PubChem CID28814207
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CC[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2/c1-3-16(4-2)10-9-13(15)11-5-7-12(14)8-6-11/h5-8,13H,3-4,9-10,15H2,1-2H3/t13-/m0/s1
InChIKeyBNFIVUFGLKFWEQ-ZDUSSCGKSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-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

N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401589
1-(3,4-difluorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 79086921
1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62644814
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202
2-(4-chlorophenyl)-4-(diethylamino)butanenitrile
CID 12550813
1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331
1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493353
1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63493106
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62645246
2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
CID 62619789

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine (CID 28814207) is (1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CC[C@H](N)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is BNFIVUFGLKFWEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-16(4-2)10-9-13(15)11-5-7-12(14)8-6-11/h5-8,13H,3-4,9-10,15H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine?
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 240.78 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 28814207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).