(4-chlorophenyl)methanamine

C7H7ClN- — CID 135036093

IUPAC(4-chlorophenyl)methanamine
SMILESN[CH-]c1ccc(Cl)cc1
InChIInChI=1S/C7H7ClN/c8-7-3-1-6(5-9)2-4-7/h1-5H,9H2/q-1
InChIKeyKNRUWFGXMWNITL-UHFFFAOYSA-N
MW140.59 g/mol
LogP1.81
Rot. Bonds1

About (4-chlorophenyl)methanamine

(4-chlorophenyl)methanamine (PubChem CID 135036093) has the molecular formula C7H7ClN- and a molecular weight of 140.59 g/mol. Its IUPAC name is (4-chlorophenyl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)methanamine
PubChem CID135036093
Molecular FormulaC7H7ClN-
Molecular Weight140.59 g/mol
Exact Mass140.03
IUPAC Name(4-chlorophenyl)methanamine
SMILESN[CH-]c1ccc(Cl)cc1
InChIInChI=1S/C7H7ClN/c8-7-3-1-6(5-9)2-4-7/h1-5H,9H2/q-1
InChIKeyKNRUWFGXMWNITL-UHFFFAOYSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.59
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;1,4-dichlorobenzene
CID 69330361
1,4-dichlorobenzene;formonitrile
CID 174444870
1,4-dichlorobenzene;trichloroalumane
CID 174756083
bis(4-chlorophenyl)azanium
CID 23412532
1-(4-chlorophenyl)ethenamine
CID 122642948
CID 173373143
CID 173373143
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
(4-chlorophenyl)-methylazanium
CID 154182344
chlorobenzene;hydrazine
CID 69403092
4-chlorophenol
CID 4684
1-bromo-4-chlorobenzene
CID 7806
1,4-dichlorobenzene;formyl chloride
CID 174264230

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methanamine?
The IUPAC name of (4-chlorophenyl)methanamine (CID 135036093) is (4-chlorophenyl)methanamine.
What is the SMILES notation for (4-chlorophenyl)methanamine?
The canonical SMILES for (4-chlorophenyl)methanamine is N[CH-]c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methanamine?
The InChIKey is KNRUWFGXMWNITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN/c8-7-3-1-6(5-9)2-4-7/h1-5H,9H2/q-1.
What are the key properties of (4-chlorophenyl)methanamine?
(4-chlorophenyl)methanamine has a molecular weight of 140.59 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methanamine is sourced from PubChem (CID 135036093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).