(S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine

C17H17F3N2O — CID 71165364

IUPAC(S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine
SMILESCC1(c2cccnc2[C@@H](N)c2ccc(C(F)(F)F)cc2)COC1
InChIInChI=1S/C17H17F3N2O/c1-16(9-23-10-16)13-3-2-8-22-15(13)14(21)11-4-6-12(7-5-11)17(18,19)20/h2-8,14H,9-10,21H2,1H3/t14-/m0/s1
InChIKeyVVALNDHNDHVUBC-AWEZNQCLSA-N
MW322.33 g/mol
LogP3.44
Rot. Bonds3

About (S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine

(S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 71165364) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is (S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID71165364
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name(S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine
SMILESCC1(c2cccnc2[C@@H](N)c2ccc(C(F)(F)F)cc2)COC1
InChIInChI=1S/C17H17F3N2O/c1-16(9-23-10-16)13-3-2-8-22-15(13)14(21)11-4-6-12(7-5-11)17(18,19)20/h2-8,14H,9-10,21H2,1H3/t14-/m0/s1
InChIKeyVVALNDHNDHVUBC-AWEZNQCLSA-N
XLogP3.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)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

2-(2,2-dimethyl-4-(3-(trifluoromethyl)phenyl)tetrahydro-2H-pyran-4-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 17582358
6-[4-(3-Methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile
CID 71817013
1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine
CID 75405292
Sdccgsbi-0115100.P001
CID 45229717
N-{[3-(3-fluorophenyl)tetrahydro-3-furanyl]methyl}-1-(2-pyridinylmethyl)-4-piperidinamine
CID 45250862
Sdccgsbi-0115105.P001
CID 45251747
5-(Oxetan-3-yl)-2-(trifluoromethyl)pyridine
CID 138977620
1-(5-ethyl-2-pyridinyl)-N-[[(3R)-3-(3-fluorophenyl)oxolan-3-yl]methyl]methanamine
CID 28133898
N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 28664863
1-[3-(4-fluorophenyl)tetrahydro-3-furanyl]-N-{[6-(trifluoromethyl)-3-pyridinyl]methyl}methanamine
CID 45233208
1-[[3-(4-Fluorophenyl)oxolan-3-yl]methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 56891572
4-[[[(S)-(5-fluoro-2-pyridinyl)-phenylmethyl]amino]methyl]-N,N-dimethyloxan-4-amine
CID 99854322

Frequently Asked Questions

What is the IUPAC name of (S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine (CID 71165364) is (S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine is CC1(c2cccnc2[C@@H](N)c2ccc(C(F)(F)F)cc2)COC1.
What is the InChIKey of (S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VVALNDHNDHVUBC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-16(9-23-10-16)13-3-2-8-22-15(13)14(21)11-4-6-12(7-5-11)17(18,19)20/h2-8,14H,9-10,21H2,1H3/t14-/m0/s1.
What are the key properties of (S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine?
(S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 322.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3-(3-methyloxetan-3-yl)-2-pyridinyl]-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 71165364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).