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

C16H21F3N2 — CID 114490136

IUPAC2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCC(CN1CC=C(C(F)(F)F)CC1)C(N)c1ccccc1
InChIInChI=1S/C16H21F3N2/c1-12(15(20)13-5-3-2-4-6-13)11-21-9-7-14(8-10-21)16(17,18)19/h2-7,12,15H,8-11,20H2,1H3
InChIKeyBJPBBWAIUJAVSL-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.52
Rot. Bonds4

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

2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (PubChem CID 114490136) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
PubChem CID114490136
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESCC(CN1CC=C(C(F)(F)F)CC1)C(N)c1ccccc1
InChIInChI=1S/C16H21F3N2/c1-12(15(20)13-5-3-2-4-6-13)11-21-9-7-14(8-10-21)16(17,18)19/h2-7,12,15H,8-11,20H2,1H3
InChIKeyBJPBBWAIUJAVSL-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 130523166
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490242
3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine
CID 62619441
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-1-phenylpropan-1-amine
CID 63159871
N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114490718
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
CID 114489683
1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol
CID 106837864
1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 114490083
(1S)-1-[4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 104930369
3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 65282253
5,5-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine
CID 114490216
[2-ethylsulfanyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114489474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (CID 114490136) is 2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is CC(CN1CC=C(C(F)(F)F)CC1)C(N)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The InChIKey is BJPBBWAIUJAVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-12(15(20)13-5-3-2-4-6-13)11-21-9-7-14(8-10-21)16(17,18)19/h2-7,12,15H,8-11,20H2,1H3.
What are the key properties of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine has a molecular weight of 298.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is sourced from PubChem (CID 114490136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).