2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline

C14H12Cl3N — CID 107309995

IUPAC2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
SMILESClCc1ccccc1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl3N/c15-8-10-4-1-2-7-13(10)18-9-11-5-3-6-12(16)14(11)17/h1-7,18H,8-9H2
InChIKeyLIOOLZJFKQHZTE-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.34
Rot. Bonds4

About 2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline

2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline (PubChem CID 107309995) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
PubChem CID107309995
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
SMILESClCc1ccccc1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl3N/c15-8-10-4-1-2-7-13(10)18-9-11-5-3-6-12(16)14(11)17/h1-7,18H,8-9H2
InChIKeyLIOOLZJFKQHZTE-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 55.34
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-benzyl-2-(chloromethyl)aniline
CID 15078992
2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
CID 114251746
3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline
CID 81263519
[2-[(2,6-dichlorophenyl)methylamino]phenyl]methanol
CID 43229623
2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline
CID 65023637
2-[(2,3-dichloroanilino)methyl]benzamide
CID 28774931
1-[3-(chloromethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanamine
CID 107310005
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830
2-chloro-6-[(2-chlorophenyl)methylamino]benzenecarbothioamide
CID 62500756
2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39447537

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline?
The IUPAC name of 2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline (CID 107309995) is 2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline.
What is the SMILES notation for 2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline?
The canonical SMILES for 2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline is ClCc1ccccc1NCc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline?
The InChIKey is LIOOLZJFKQHZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c15-8-10-4-1-2-7-13(10)18-9-11-5-3-6-12(16)14(11)17/h1-7,18H,8-9H2.
What are the key properties of 2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline?
2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline has a molecular weight of 300.62 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline is sourced from PubChem (CID 107309995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).