1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine

C14H11ClF3N — CID 103792288

IUPAC1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine
SMILESFc1cc(F)c(CNCc2ccccc2Cl)cc1F
InChIInChI=1S/C14H11ClF3N/c15-11-4-2-1-3-9(11)7-19-8-10-5-13(17)14(18)6-12(10)16/h1-6,19H,7-8H2
InChIKeyVAMPEVYQTOUWIN-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.05
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine

1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine (PubChem CID 103792288) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine
PubChem CID103792288
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine
SMILESFc1cc(F)c(CNCc2ccccc2Cl)cc1F
InChIInChI=1S/C14H11ClF3N/c15-11-4-2-1-3-9(11)7-19-8-10-5-13(17)14(18)6-12(10)16/h1-6,19H,7-8H2
InChIKeyVAMPEVYQTOUWIN-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 43234562
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 106263103
[(2-chlorophenyl)methylamino]methanethiol
CID 88942802
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 55193888
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 103792327
N'-[(5-chloro-2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 163922038
3-phenoxy-N-[(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103792435
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine (CID 103792288) is 1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine is Fc1cc(F)c(CNCc2ccccc2Cl)cc1F.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine?
The InChIKey is VAMPEVYQTOUWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-11-4-2-1-3-9(11)7-19-8-10-5-13(17)14(18)6-12(10)16/h1-6,19H,7-8H2.
What are the key properties of 1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine?
1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine has a molecular weight of 285.70 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine is sourced from PubChem (CID 103792288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).