[4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine

C14H16F4N2 — CID 114489692

IUPAC[4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(F)c(CN2CC=C(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H16F4N2/c15-13-2-1-10(8-19)7-11(13)9-20-5-3-12(4-6-20)14(16,17)18/h1-3,7H,4-6,8-9,19H2
InChIKeyUUWLMLLNCLSOSJ-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.98
Rot. Bonds3

About [4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine

[4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine (PubChem CID 114489692) has the molecular formula C14H16F4N2 and a molecular weight of 288.29 g/mol. Its IUPAC name is [4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
PubChem CID114489692
Molecular FormulaC14H16F4N2
Molecular Weight288.29 g/mol
Exact Mass288.12
IUPAC Name[4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(F)c(CN2CC=C(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H16F4N2/c15-13-2-1-10(8-19)7-11(13)9-20-5-3-12(4-6-20)14(16,17)18/h1-3,7H,4-6,8-9,19H2
InChIKeyUUWLMLLNCLSOSJ-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114489481
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 114462556
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-1,4-diazepan-5-one
CID 63002654
4-methoxy-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]aniline
CID 114490097
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
CID 62943367
4-[[5-(aminomethyl)-2-fluorophenyl]methyl]-1,4-diazepan-2-one
CID 65361334
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279493
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 43562377
N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine
CID 107455773

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine (CID 114489692) is [4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine is NCc1ccc(F)c(CN2CC=C(C(F)(F)F)CC2)c1.
What is the InChIKey of [4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine?
The InChIKey is UUWLMLLNCLSOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2/c15-13-2-1-10(8-19)7-11(13)9-20-5-3-12(4-6-20)14(16,17)18/h1-3,7H,4-6,8-9,19H2.
What are the key properties of [4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine?
[4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine has a molecular weight of 288.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 114489692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).