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

C11H19F3N2 — CID 114490106

IUPAC2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
SMILESCC(C)(N)CCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-10(2,15)5-8-16-6-3-9(4-7-16)11(12,13)14/h3H,4-8,15H2,1-2H3
InChIKeyYYCBVRSKMNJFGT-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.31
Rot. Bonds3

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

2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine (PubChem CID 114490106) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
PubChem CID114490106
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
SMILESCC(C)(N)CCN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-10(2,15)5-8-16-6-3-9(4-7-16)11(12,13)14/h3H,4-8,15H2,1-2H3
InChIKeyYYCBVRSKMNJFGT-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.31
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

N,N-dimethyl-1-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanamine
CID 44343928
3,3,3-trifluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]propan-1-amine
CID 103366475
difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 105431839
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 113588647
4,4,4-trifluoro-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591609
N-propan-2-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113591661
2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 113591675
4,4-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-3-amine
CID 113591679
3,3-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 113591683
N-ethyl-2-methyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591734
N,3-dimethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591737
N-ethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591738

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine?
The IUPAC name of 2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine (CID 114490106) is 2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine is CC(C)(N)CCN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine?
The InChIKey is YYCBVRSKMNJFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-10(2,15)5-8-16-6-3-9(4-7-16)11(12,13)14/h3H,4-8,15H2,1-2H3.
What are the key properties of 2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine?
2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine has a molecular weight of 236.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine is sourced from PubChem (CID 114490106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).