N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine

C11H17F3N2 — CID 166976401

IUPACN-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine
SMILESCC(C)NC(C)C1=CC=C(C(F)(F)F)CN1
InChIInChI=1S/C11H17F3N2/c1-7(2)16-8(3)10-5-4-9(6-15-10)11(12,13)14/h4-5,7-8,15-16H,6H2,1-3H3
InChIKeyNKSGQSZUWGHRAW-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.35
Rot. Bonds3

About N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine

N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine (PubChem CID 166976401) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine
PubChem CID166976401
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC NameN-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine
SMILESCC(C)NC(C)C1=CC=C(C(F)(F)F)CN1
InChIInChI=1S/C11H17F3N2/c1-7(2)16-8(3)10-5-4-9(6-15-10)11(12,13)14/h4-5,7-8,15-16H,6H2,1-3H3
InChIKeyNKSGQSZUWGHRAW-UHFFFAOYSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine?
The IUPAC name of N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine (CID 166976401) is N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine is CC(C)NC(C)C1=CC=C(C(F)(F)F)CN1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine?
The InChIKey is NKSGQSZUWGHRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-7(2)16-8(3)10-5-4-9(6-15-10)11(12,13)14/h4-5,7-8,15-16H,6H2,1-3H3.
What are the key properties of N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine?
N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine has a molecular weight of 234.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine is sourced from PubChem (CID 166976401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).