1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine

C15H26N2 — CID 79088664

IUPAC1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)c1cccc(C)c1C
InChIInChI=1S/C15H26N2/c1-6-10-16-15(11-17(4)5)14-9-7-8-12(2)13(14)3/h7-9,15-16H,6,10-11H2,1-5H3
InChIKeyVRPUYYINLMWZNI-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.91
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine

1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine (PubChem CID 79088664) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
PubChem CID79088664
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)c1cccc(C)c1C
InChIInChI=1S/C15H26N2/c1-6-10-16-15(11-17(4)5)14-9-7-8-12(2)13(14)3/h7-9,15-16H,6,10-11H2,1-5H3
InChIKeyVRPUYYINLMWZNI-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-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-(2,3-dimethylphenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092443
1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N-[2-(5-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethyl]propan-1-amine
CID 115840802
N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66459041
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
1-(2,3-dimethylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030048
N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559256
N-[(3-chloro-2-methylphenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107102258
1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine
CID 63464856
N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine (CID 79088664) is 1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine is CCCNC(CN(C)C)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The InChIKey is VRPUYYINLMWZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-10-16-15(11-17(4)5)14-9-7-8-12(2)13(14)3/h7-9,15-16H,6,10-11H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 79088664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).