1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine

C16H27ClN2 — CID 55099013

IUPAC1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
SMILESCCCCCN(C)CCC(NC)c1ccccc1Cl
InChIInChI=1S/C16H27ClN2/c1-4-5-8-12-19(3)13-11-16(18-2)14-9-6-7-10-15(14)17/h6-7,9-10,16,18H,4-5,8,11-13H2,1-3H3
InChIKeyPDQYTXPNIMARBH-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.11
Rot. Bonds9

About 1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine

1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine (PubChem CID 55099013) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
PubChem CID55099013
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
SMILESCCCCCN(C)CCC(NC)c1ccccc1Cl
InChIInChI=1S/C16H27ClN2/c1-4-5-8-12-19(3)13-11-16(18-2)14-9-6-7-10-15(14)17/h6-7,9-10,16,18H,4-5,8,11-13H2,1-3H3
InChIKeyPDQYTXPNIMARBH-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-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'-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 62643934
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62645335
1-(2-chlorophenyl)-N'-cyclopropyl-N'-ethyl-N-methylpropane-1,3-diamine
CID 62644980
1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63494077
3-[[3-(2-chlorophenyl)-3-(methylamino)propyl]-propan-2-ylamino]propan-1-ol
CID 62644404
1-(2-chlorophenyl)-N-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112664674
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
CID 107102165
1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412300
1-(2-chlorophenyl)butylhydrazine
CID 105202004

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine (CID 55099013) is 1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine is CCCCCN(C)CCC(NC)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine?
The InChIKey is PDQYTXPNIMARBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-4-5-8-12-19(3)13-11-16(18-2)14-9-6-7-10-15(14)17/h6-7,9-10,16,18H,4-5,8,11-13H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine?
1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine has a molecular weight of 282.86 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine is sourced from PubChem (CID 55099013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).