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

C16H21F3N2 — CID 114489625

IUPAC1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CC=C(C(F)(F)F)CC2)cc1
InChIInChI=1S/C16H21F3N2/c1-11-3-5-13(6-4-11)15(12(2)20)21-9-7-14(8-10-21)16(17,18)19/h3-7,12,15H,8-10,20H2,1-2H3
InChIKeySXHZVLCPDXBZPB-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.58
Rot. Bonds3

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

1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine (PubChem CID 114489625) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
PubChem CID114489625
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CC=C(C(F)(F)F)CC2)cc1
InChIInChI=1S/C16H21F3N2/c1-11-3-5-13(6-4-11)15(12(2)20)21-9-7-14(8-10-21)16(17,18)19/h3-7,12,15H,8-10,20H2,1-2H3
InChIKeySXHZVLCPDXBZPB-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.58
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

Benzhydrylpiperazine
CID 70048
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
1-Methyl-3-phenylpiperazine
CID 2760009
1-[4-(Trifluoromethyl)benzyl]piperazine
CID 2782803
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
CID 66029
Isobutyl-(4-methyl-benzyl)-piperidin-4-yl-amine
CID 44411213
N,N'-Bis(1-phenylethyl)diaminoethane
CID 22679
(2-Aminoethyl)(benzyl)methylamine
CID 3014812
N-Benzyl-N,N'-dimethylethylenediamine
CID 66016
1-(1,2-Diphenylethyl)piperazine
CID 12263801
1-(1,3-Diphenylpropyl)piperazine
CID 44414840
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The IUPAC name of 1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine (CID 114489625) is 1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The canonical SMILES for 1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine is Cc1ccc(C(C(C)N)N2CC=C(C(F)(F)F)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The InChIKey is SXHZVLCPDXBZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-11-3-5-13(6-4-11)15(12(2)20)21-9-7-14(8-10-21)16(17,18)19/h3-7,12,15H,8-10,20H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine has a molecular weight of 298.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine is sourced from PubChem (CID 114489625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).