1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine

C14H10ClF4N — CID 107993161

IUPAC1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1ccc(Cl)c(F)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10ClF4N/c1-20-14(7-2-4-9(15)11(17)6-7)8-3-5-10(16)13(19)12(8)18/h2-6,14,20H,1H3
InChIKeyMQUJOPRQYRGHKX-UHFFFAOYSA-N
MW303.69 g/mol
LogP4.21
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine

1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (PubChem CID 107993161) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
PubChem CID107993161
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1ccc(Cl)c(F)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10ClF4N/c1-20-14(7-2-4-9(15)11(17)6-7)8-3-5-10(16)13(19)12(8)18/h2-6,14,20H,1H3
InChIKeyMQUJOPRQYRGHKX-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-3-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107993159
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963780
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62965139
1-(4-chloro-3-fluorophenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 107993091
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 107998804
N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline
CID 105146542
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998783
[(4-chloro-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107997445
N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 62965810
1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114025401

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (CID 107993161) is 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is CNC(c1ccc(Cl)c(F)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is MQUJOPRQYRGHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c1-20-14(7-2-4-9(15)11(17)6-7)8-3-5-10(16)13(19)12(8)18/h2-6,14,20H,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 303.69 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 107993161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).