N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

C16H15F4NO — CID 119160611

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(F)cc1CNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F4NO/c1-22-15-6-5-14(17)8-12(15)10-21-9-11-3-2-4-13(7-11)16(18,19)20/h2-8,21H,9-10H2,1H3
InChIKeySCIRJEGUZSBLQD-UHFFFAOYSA-N
MW313.29 g/mol
LogP4.14
Rot. Bonds5

About N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 119160611) has the molecular formula C16H15F4NO and a molecular weight of 313.29 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID119160611
Molecular FormulaC16H15F4NO
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(F)cc1CNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F4NO/c1-22-15-6-5-14(17)8-12(15)10-21-9-11-3-2-4-13(7-11)16(18,19)20/h2-8,21H,9-10H2,1H3
InChIKeySCIRJEGUZSBLQD-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 134015070
N-[(2-bromo-5-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 29275138
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43423933
N-[(3-chloro-2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115656673
2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 791955
5,6,7-trimethoxy-N,N-dimethyl-3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]quinolin-2-amine
CID 42317885
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
CID 61400743
N-[(3,5-dimethoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine;oxalic acid
CID 17367770
3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
N-[(6-chloro-3-pyridinyl)methyl]-1-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 78895049
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
CID 134033677

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (CID 119160611) is N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is COc1ccc(F)cc1CNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is SCIRJEGUZSBLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO/c1-22-15-6-5-14(17)8-12(15)10-21-9-11-3-2-4-13(7-11)16(18,19)20/h2-8,21H,9-10H2,1H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 313.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 119160611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).