4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline

C15H15ClFN — CID 28946499

IUPAC4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1cccc(F)c1)c1ccc(CCl)cc1
InChIInChI=1S/C15H15ClFN/c1-18(11-13-3-2-4-14(17)9-13)15-7-5-12(10-16)6-8-15/h2-9H,10-11H2,1H3
InChIKeyGEZZNQXVDCDIHE-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.20
Rot. Bonds4

About 4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline

4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline (PubChem CID 28946499) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline
PubChem CID28946499
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1cccc(F)c1)c1ccc(CCl)cc1
InChIInChI=1S/C15H15ClFN/c1-18(11-13-3-2-4-14(17)9-13)15-7-5-12(10-16)6-8-15/h2-9H,10-11H2,1H3
InChIKeyGEZZNQXVDCDIHE-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-aminoethyl]-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28802643
3-(chloromethyl)-5-fluoro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 106530340
4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 62945834
2-fluoro-4-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 115485286
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline
CID 63784239
N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline
CID 63540991
4-(chloromethyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528420
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 62300674

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of 4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline (CID 28946499) is 4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline is CN(Cc1cccc(F)c1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is GEZZNQXVDCDIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-18(11-13-3-2-4-14(17)9-13)15-7-5-12(10-16)6-8-15/h2-9H,10-11H2,1H3.
What are the key properties of 4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline?
4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline has a molecular weight of 263.74 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 28946499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).