2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine

C16H24ClFN2 — CID 63157457

IUPAC2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
SMILESCCC1(C)CCN(C(CN)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H24ClFN2/c1-3-16(2)7-9-20(10-8-16)14(11-19)15-12(17)5-4-6-13(15)18/h4-6,14H,3,7-11,19H2,1-2H3
InChIKeyMKDABNRYJVENNC-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.99
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine (PubChem CID 63157457) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
PubChem CID63157457
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
SMILESCCC1(C)CCN(C(CN)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H24ClFN2/c1-3-16(2)7-9-20(10-8-16)14(11-19)15-12(17)5-4-6-13(15)18/h4-6,14H,3,7-11,19H2,1-2H3
InChIKeyMKDABNRYJVENNC-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 65283784
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 63156191
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 106817408
2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 16791427
2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157455
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30122272
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552537
2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine
CID 114487997
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 115559256
2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine (CID 63157457) is 2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine is CCC1(C)CCN(C(CN)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
The InChIKey is MKDABNRYJVENNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-3-16(2)7-9-20(10-8-16)14(11-19)15-12(17)5-4-6-13(15)18/h4-6,14H,3,7-11,19H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine has a molecular weight of 298.83 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 63157457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).