3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline

C14H12Cl3N — CID 65318262

IUPAC3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline
SMILESClCc1cccc(NCc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl3N/c15-8-10-2-1-3-13(6-10)18-9-11-7-12(16)4-5-14(11)17/h1-7,18H,8-9H2
InChIKeyABMZWNJKIRCMNK-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.34
Rot. Bonds4

About 3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline

3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline (PubChem CID 65318262) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline.

Molecular Properties

Compound Name3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline
PubChem CID65318262
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline
SMILESClCc1cccc(NCc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl3N/c15-8-10-2-1-3-13(6-10)18-9-11-7-12(16)4-5-14(11)17/h1-7,18H,8-9H2
InChIKeyABMZWNJKIRCMNK-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

4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline
CID 65315845
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]ethanol
CID 103845164
N-[(2-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)aniline
CID 65023906
N-[(2,5-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 103696972
4-chloro-2-[[3-[(dimethylamino)methyl]anilino]methyl]phenol
CID 43688843
3-(chloromethyl)-N-(2,2-difluoroethyl)aniline
CID 65023628
3-(chloromethyl)-N-(quinolin-4-ylmethyl)aniline
CID 79240217
4-bromo-N-[(2,5-dichlorophenyl)methyl]-3-iodoaniline
CID 114259513
6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine
CID 81266419
N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
CID 104854025
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 103844946

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline?
The IUPAC name of 3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline (CID 65318262) is 3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline.
What is the SMILES notation for 3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline?
The canonical SMILES for 3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline is ClCc1cccc(NCc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline?
The InChIKey is ABMZWNJKIRCMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c15-8-10-2-1-3-13(6-10)18-9-11-7-12(16)4-5-14(11)17/h1-7,18H,8-9H2.
What are the key properties of 3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline?
3-(chloromethyl)-N-[(2,5-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 3-(chloromethyl)-N-[(2,5-dichlorophenyl)methyl]aniline is sourced from PubChem (CID 65318262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).