1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine

C15H14Cl3N — CID 107310005

IUPAC1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine
SMILESClCc1cccc(CNCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H14Cl3N/c16-8-11-3-1-4-12(7-11)9-19-10-13-5-2-6-14(17)15(13)18/h1-7,19H,8-10H2
InChIKeyHKFZZKIFMVQJGL-UHFFFAOYSA-N
MW314.64 g/mol
LogP5.02
Rot. Bonds5

About 1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine

1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine (PubChem CID 107310005) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is 1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine
PubChem CID107310005
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine
SMILESClCc1cccc(CNCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H14Cl3N/c16-8-11-3-1-4-12(7-11)9-19-10-13-5-2-6-14(17)15(13)18/h1-7,19H,8-10H2
InChIKeyHKFZZKIFMVQJGL-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 60663542
1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine
CID 65024863
1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000262
2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
CID 107309995
N-[(3-chloro-2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115656673
1-[3-(chloromethyl)phenyl]-N-(quinolin-4-ylmethyl)methanamine
CID 79232514
1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 65024708
N-[[3-(chloromethyl)phenyl]methyl]prop-2-en-1-amine
CID 65024541
N-[[3-(chloromethyl)phenyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 65025247
3-[[(3-chloro-2-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 112554070
N-[(2,3-dichlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206866
1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 106862383

Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine?
The IUPAC name of 1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine (CID 107310005) is 1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine?
The canonical SMILES for 1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine is ClCc1cccc(CNCc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine?
The InChIKey is HKFZZKIFMVQJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N/c16-8-11-3-1-4-12(7-11)9-19-10-13-5-2-6-14(17)15(13)18/h1-7,19H,8-10H2.
What are the key properties of 1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine?
1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine has a molecular weight of 314.64 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine is sourced from PubChem (CID 107310005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).