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

C15H18ClF3N2 — CID 114489643

IUPAC1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
SMILESCC(N)C(c1ccc(Cl)cc1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H18ClF3N2/c1-10(20)14(11-2-4-13(16)5-3-11)21-8-6-12(7-9-21)15(17,18)19/h2-6,10,14H,7-9,20H2,1H3
InChIKeyNHDPCAZLNSBXFB-UHFFFAOYSA-N
MW318.77 g/mol
LogP3.92
Rot. Bonds3

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

1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine (PubChem CID 114489643) has the molecular formula C15H18ClF3N2 and a molecular weight of 318.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
PubChem CID114489643
Molecular FormulaC15H18ClF3N2
Molecular Weight318.77 g/mol
Exact Mass318.11
IUPAC Name1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
SMILESCC(N)C(c1ccc(Cl)cc1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H18ClF3N2/c1-10(20)14(11-2-4-13(16)5-3-11)21-8-6-12(7-9-21)15(17,18)19/h2-6,10,14H,7-9,20H2,1H3
InChIKeyNHDPCAZLNSBXFB-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine (CID 114489643) is 1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine is CC(N)C(c1ccc(Cl)cc1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
The InChIKey is NHDPCAZLNSBXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2/c1-10(20)14(11-2-4-13(16)5-3-11)21-8-6-12(7-9-21)15(17,18)19/h2-6,10,14H,7-9,20H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine?
1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine has a molecular weight of 318.77 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine is sourced from PubChem (CID 114489643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).