(3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide

C15H16Cl2N2O — CID 87654409

IUPAC(3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide
SMILESNCc1cccc(Cl)c1.O=CNCc1cccc(Cl)c1
InChIInChI=1S/C8H8ClNO.C7H8ClN/c9-8-3-1-2-7(4-8)5-10-6-11;8-7-3-1-2-6(4-7)5-9/h1-4,6H,5H2,(H,10,11);1-4H,5,9H2
InChIKeyJKUSJLRORSQXBX-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.38
Rot. Bonds4

About (3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide

(3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide (PubChem CID 87654409) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is (3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide.

Molecular Properties

Compound Name(3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide
PubChem CID87654409
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name(3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide
SMILESNCc1cccc(Cl)c1.O=CNCc1cccc(Cl)c1
InChIInChI=1S/C8H8ClNO.C7H8ClN/c9-8-3-1-2-7(4-8)5-10-6-11;8-7-3-1-2-6(4-7)5-9/h1-4,6H,5H2,(H,10,11);1-4H,5,9H2
InChIKeyJKUSJLRORSQXBX-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
N-[(3-chlorophenyl)methyl]methanethioamide
CID 58279687
N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
CID 141415760
acetic acid;(3-chlorophenyl)methanamine
CID 174881740
[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine
CID 115212992
1-[[3-(aminomethyl)phenyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901405
(E)-3-[(3-chlorophenyl)methylamino]prop-2-enoic acid
CID 103248728
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369
N-benzylformamide
CID 139060556
N-amino-N-[(3-chlorophenyl)methyl]formamide
CID 87961118
N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide
CID 118871355
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 60858657

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide?
The IUPAC name of (3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide (CID 87654409) is (3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide.
What is the SMILES notation for (3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide?
The canonical SMILES for (3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide is NCc1cccc(Cl)c1.O=CNCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide?
The InChIKey is JKUSJLRORSQXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.C7H8ClN/c9-8-3-1-2-7(4-8)5-10-6-11;8-7-3-1-2-6(4-7)5-9/h1-4,6H,5H2,(H,10,11);1-4H,5,9H2.
What are the key properties of (3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide?
(3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide has a molecular weight of 311.21 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide is sourced from PubChem (CID 87654409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).