2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine

C16H18Cl2N2 — CID 63533670

IUPAC2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
SMILESCCCN(Cc1ccc(Cl)cc1Cl)c1ccccc1N
InChIInChI=1S/C16H18Cl2N2/c1-2-9-20(16-6-4-3-5-15(16)19)11-12-7-8-13(17)10-14(12)18/h3-8,10H,2,9,11,19H2,1H3
InChIKeyCZRAAZFMUHTORU-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.99
Rot. Bonds5

About 2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine

2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine (PubChem CID 63533670) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
PubChem CID63533670
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
SMILESCCCN(Cc1ccc(Cl)cc1Cl)c1ccccc1N
InChIInChI=1S/C16H18Cl2N2/c1-2-9-20(16-6-4-3-5-15(16)19)11-12-7-8-13(17)10-14(12)18/h3-8,10H,2,9,11,19H2,1H3
InChIKeyCZRAAZFMUHTORU-UHFFFAOYSA-N
XLogP4.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 107306759
2-N-[(3-chloro-4-fluorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 103038315
2-[(2-aminophenyl)methyl-propylamino]-5-chlorobenzonitrile
CID 62493361
N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
CID 117059460
4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide
CID 102668628
2-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 106264357
3-[[(2,4-dichlorophenyl)methyl-propylamino]methyl]aniline
CID 43459758
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
2-(2-amino-N-propylanilino)acetonitrile
CID 63230761
2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine
CID 81106111
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681
3-N-[(2-chloro-4-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 106864224

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine?
The IUPAC name of 2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine (CID 63533670) is 2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine is CCCN(Cc1ccc(Cl)cc1Cl)c1ccccc1N.
What is the InChIKey of 2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine?
The InChIKey is CZRAAZFMUHTORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-2-9-20(16-6-4-3-5-15(16)19)11-12-7-8-13(17)10-14(12)18/h3-8,10H,2,9,11,19H2,1H3.
What are the key properties of 2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine?
2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine has a molecular weight of 309.24 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 63533670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).