N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine

C15H21F3N2S — CID 107557554

IUPACN-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN2CC=C(C(F)(F)F)CC2)s1
InChIInChI=1S/C15H21F3N2S/c1-11(2)19-9-13-3-4-14(21-13)10-20-7-5-12(6-8-20)15(16,17)18/h3-5,11,19H,6-10H2,1-2H3
InChIKeyNUNDJXYTQSDGNA-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.94
Rot. Bonds5

About N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107557554) has the molecular formula C15H21F3N2S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107557554
Molecular FormulaC15H21F3N2S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC NameN-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN2CC=C(C(F)(F)F)CC2)s1
InChIInChI=1S/C15H21F3N2S/c1-11(2)19-9-13-3-4-14(21-13)10-20-7-5-12(6-8-20)15(16,17)18/h3-5,11,19H,6-10H2,1-2H3
InChIKeyNUNDJXYTQSDGNA-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555391
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555984
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557592
N-[[5-[(4-methoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555866
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556748
N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557845
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557672
(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
N-[[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114460865
N-[[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556963
N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556740

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107557554) is N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN2CC=C(C(F)(F)F)CC2)s1.
What is the InChIKey of N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is NUNDJXYTQSDGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2S/c1-11(2)19-9-13-3-4-14(21-13)10-20-7-5-12(6-8-20)15(16,17)18/h3-5,11,19H,6-10H2,1-2H3.
What are the key properties of N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 318.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107557554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).