2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine

C16H18Cl2N2 — CID 107306759

IUPAC2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
SMILESCCCN(Cc1cccc(Cl)c1Cl)c1ccccc1N
InChIInChI=1S/C16H18Cl2N2/c1-2-10-20(15-9-4-3-8-14(15)19)11-12-6-5-7-13(17)16(12)18/h3-9H,2,10-11,19H2,1H3
InChIKeyPWUPOXFUQQMKKR-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.99
Rot. Bonds5

About 2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine

2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine (PubChem CID 107306759) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
PubChem CID107306759
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
SMILESCCCN(Cc1cccc(Cl)c1Cl)c1ccccc1N
InChIInChI=1S/C16H18Cl2N2/c1-2-10-20(15-9-4-3-8-14(15)19)11-12-6-5-7-13(17)16(12)18/h3-9H,2,10-11,19H2,1H3
InChIKeyPWUPOXFUQQMKKR-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-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 63533670
2-N-[(3-chloro-4-fluorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 103038315
2-[(2-aminophenyl)methyl-propylamino]-6-fluorobenzonitrile
CID 60877231
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
2-[(2-aminophenyl)methyl-propylamino]-5-chlorobenzonitrile
CID 62493361
3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 107306757
2-(2-amino-N-propylanilino)acetonitrile
CID 63230761
2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine
CID 81106111
1-N,1-N-dipropylnaphthalene-1,5-diamine
CID 139621321
N-[(2,3-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 58624352
2-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 106264357
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine?
The IUPAC name of 2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine (CID 107306759) is 2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine is CCCN(Cc1cccc(Cl)c1Cl)c1ccccc1N.
What is the InChIKey of 2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine?
The InChIKey is PWUPOXFUQQMKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-2-10-20(15-9-4-3-8-14(15)19)11-12-6-5-7-13(17)16(12)18/h3-9H,2,10-11,19H2,1H3.
What are the key properties of 2-N-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine?
2-N-[(2,3-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-[(2,3-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 107306759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).