4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

C15H13ClF3N — CID 65025403

IUPAC4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1cccc(CNc2ccc(CCl)cc2)c1
InChIInChI=1S/C15H13ClF3N/c16-9-11-4-6-14(7-5-11)20-10-12-2-1-3-13(8-12)15(17,18)19/h1-8,20H,9-10H2
InChIKeyHFQHAYNVOGPZLC-UHFFFAOYSA-N
MW299.72 g/mol
LogP5.06
Rot. Bonds4

About 4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 65025403) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID65025403
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1cccc(CNc2ccc(CCl)cc2)c1
InChIInChI=1S/C15H13ClF3N/c16-9-11-4-6-14(7-5-11)20-10-12-2-1-3-13(8-12)15(17,18)19/h1-8,20H,9-10H2
InChIKeyHFQHAYNVOGPZLC-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.72
LogP ≤ 55.06
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-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737
4-ethynyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 44819185
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363874
2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 43436206
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 81143843
N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 62809900
N-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)aniline
CID 107887420
2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 66252816

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (CID 65025403) is 4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is FC(F)(F)c1cccc(CNc2ccc(CCl)cc2)c1.
What is the InChIKey of 4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is HFQHAYNVOGPZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c16-9-11-4-6-14(7-5-11)20-10-12-2-1-3-13(8-12)15(17,18)19/h1-8,20H,9-10H2.
What are the key properties of 4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 299.72 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 65025403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).