(2,3-dichlorophenyl)methanediamine

C7H8Cl2N2 — CID 139660481

IUPAC(2,3-dichlorophenyl)methanediamine
SMILESNC(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C7H8Cl2N2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H,10-11H2
InChIKeyHBBPTSHBNUPIML-UHFFFAOYSA-N
MW191.06 g/mol
LogP1.91
Rot. Bonds1

About (2,3-dichlorophenyl)methanediamine

(2,3-dichlorophenyl)methanediamine (PubChem CID 139660481) has the molecular formula C7H8Cl2N2 and a molecular weight of 191.06 g/mol. Its IUPAC name is (2,3-dichlorophenyl)methanediamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)methanediamine
PubChem CID139660481
Molecular FormulaC7H8Cl2N2
Molecular Weight191.06 g/mol
Exact Mass190.01
IUPAC Name(2,3-dichlorophenyl)methanediamine
SMILESNC(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C7H8Cl2N2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H,10-11H2
InChIKeyHBBPTSHBNUPIML-UHFFFAOYSA-N
XLogP1.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247920
(1S)-1-(2,3-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311628
1-(2,3-dichlorophenyl)but-3-yn-1-amine
CID 87596872
(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115851182
5-(2,3-dichlorophenyl)hexan-2-amine
CID 83924701
3-amino-3-(2,3-dichlorophenyl)propanal
CID 123893980
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)methanediamine?
The IUPAC name of (2,3-dichlorophenyl)methanediamine (CID 139660481) is (2,3-dichlorophenyl)methanediamine.
What is the SMILES notation for (2,3-dichlorophenyl)methanediamine?
The canonical SMILES for (2,3-dichlorophenyl)methanediamine is NC(N)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)methanediamine?
The InChIKey is HBBPTSHBNUPIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H,10-11H2.
What are the key properties of (2,3-dichlorophenyl)methanediamine?
(2,3-dichlorophenyl)methanediamine has a molecular weight of 191.06 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)methanediamine is sourced from PubChem (CID 139660481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).