(3,4-dichlorophenyl)methanamine

C7H7Cl2N — CID 1608

IUPAC(3,4-dichlorophenyl)methanamine
SMILESNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKeyIXHNFOOSLAWRBQ-UHFFFAOYSA-N
MW176.05 g/mol
LogP2.45
Rot. Bonds1

About (3,4-dichlorophenyl)methanamine

(3,4-dichlorophenyl)methanamine (PubChem CID 1608) has the molecular formula C7H7Cl2N and a molecular weight of 176.05 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methanamine
PubChem CID1608
Molecular FormulaC7H7Cl2N
Molecular Weight176.05 g/mol
Exact Mass175.00
IUPAC Name(3,4-dichlorophenyl)methanamine
SMILESNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKeyIXHNFOOSLAWRBQ-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.05
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)methanamine (CID 1608) is (3,4-dichlorophenyl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)methanamine is NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methanamine?
The InChIKey is IXHNFOOSLAWRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2.
What are the key properties of (3,4-dichlorophenyl)methanamine?
(3,4-dichlorophenyl)methanamine has a molecular weight of 176.05 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methanamine is sourced from PubChem (CID 1608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).