2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine

C15H22F2N2 — CID 43266330

IUPAC2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCCN1C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-2-12-5-3-4-8-19(12)15(10-18)11-6-7-13(16)14(17)9-11/h6-7,9,12,15H,2-5,8,10,18H2,1H3
InChIKeyRYRYCMOUCNFKGE-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.23
Rot. Bonds4

About 2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine

2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine (PubChem CID 43266330) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
PubChem CID43266330
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCCN1C(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-2-12-5-3-4-8-19(12)15(10-18)11-6-7-13(16)14(17)9-11/h6-7,9,12,15H,2-5,8,10,18H2,1H3
InChIKeyRYRYCMOUCNFKGE-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053569
2-(2-ethylpyrrolidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
CID 63052117
2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689217
2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine
CID 104689206
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345
2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
2-(4-bromo-3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052417
2-(3-bromo-4-methylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 105405177
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine
CID 43628049
2-(4-cyclopropylphenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 79984560
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine (CID 43266330) is 2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine is CCC1CCCCN1C(CN)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine?
The InChIKey is RYRYCMOUCNFKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-2-12-5-3-4-8-19(12)15(10-18)11-6-7-13(16)14(17)9-11/h6-7,9,12,15H,2-5,8,10,18H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine?
2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine has a molecular weight of 268.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 43266330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).