N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine

C14H13F3N2O — CID 175646893

IUPACN-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
SMILESCNCc1ccc(-c2cccc(OC(F)(F)F)c2)nc1
InChIInChI=1S/C14H13F3N2O/c1-18-8-10-5-6-13(19-9-10)11-3-2-4-12(7-11)20-14(15,16)17/h2-7,9,18H,8H2,1H3
InChIKeyFHWGEMQQVAVBPY-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.37
Rot. Bonds4

About N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine

N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine (PubChem CID 175646893) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
PubChem CID175646893
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC NameN-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
SMILESCNCc1ccc(-c2cccc(OC(F)(F)F)c2)nc1
InChIInChI=1S/C14H13F3N2O/c1-18-8-10-5-6-13(19-9-10)11-3-2-4-12(7-11)20-14(15,16)17/h2-7,9,18H,8H2,1H3
InChIKeyFHWGEMQQVAVBPY-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 141113146
N-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine
CID 175646894
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one
CID 72557491
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine
CID 175646876
methyl 2,5-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634030
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 42803007
(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one
CID 59772249
2-methylsulfanyl-6-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914051
1-[[3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea
CID 90014582
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine (CID 175646893) is N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine is CNCc1ccc(-c2cccc(OC(F)(F)F)c2)nc1.
What is the InChIKey of N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine?
The InChIKey is FHWGEMQQVAVBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-18-8-10-5-6-13(19-9-10)11-3-2-4-12(7-11)20-14(15,16)17/h2-7,9,18H,8H2,1H3.
What are the key properties of N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine?
N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine has a molecular weight of 282.27 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 175646893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).