N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine

C11H17ClN2 — CID 18324833

IUPACN'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine
SMILESCNCCCNc1ccc(Cl)cc1C
InChIInChI=1S/C11H17ClN2/c1-9-8-10(12)4-5-11(9)14-7-3-6-13-2/h4-5,8,13-14H,3,6-7H2,1-2H3
InChIKeyGKRCLSKEJRKSNB-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.67
Rot. Bonds5

About N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine

N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine (PubChem CID 18324833) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine
PubChem CID18324833
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine
SMILESCNCCCNc1ccc(Cl)cc1C
InChIInChI=1S/C11H17ClN2/c1-9-8-10(12)4-5-11(9)14-7-3-6-13-2/h4-5,8,13-14H,3,6-7H2,1-2H3
InChIKeyGKRCLSKEJRKSNB-UHFFFAOYSA-N
XLogP2.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chloro-2-methylanilino)pentanoic acid
CID 28972078
4-chloro-2-methyl-N-[4-(2-methylphenoxy)butyl]aniline
CID 82095779
4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 114255842
N'-(5-chloro-4-methoxy-2-methylphenyl)-N-methylpropane-1,3-diamine
CID 115197672
N'-[4-[[4-(3-aminopropylamino)-3-methylphenyl]methyl]-2-methylphenyl]propane-1,3-diamine
CID 124926554
4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43766570
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
2,4-dichloro-N-(4-methylpentyl)aniline
CID 83155981
4-chloro-2-methyl-N-(2-methylbutyl)aniline
CID 43093539
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148
N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2-methylaniline
CID 30059054

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine (CID 18324833) is N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine is CNCCCNc1ccc(Cl)cc1C.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine?
The InChIKey is GKRCLSKEJRKSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9-8-10(12)4-5-11(9)14-7-3-6-13-2/h4-5,8,13-14H,3,6-7H2,1-2H3.
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine?
N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine has a molecular weight of 212.72 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 18324833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).