1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine

C16H25FN2 — CID 120838232

IUPAC1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine
SMILESCCc1cccc(F)c1CN1CCC(C(C)N)CC1
InChIInChI=1S/C16H25FN2/c1-3-13-5-4-6-16(17)15(13)11-19-9-7-14(8-10-19)12(2)18/h4-6,12,14H,3,7-11,18H2,1-2H3
InChIKeyDUCZYPIVGGVXLW-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.95
Rot. Bonds4

About 1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine

1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 120838232) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine
PubChem CID120838232
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine
SMILESCCc1cccc(F)c1CN1CCC(C(C)N)CC1
InChIInChI=1S/C16H25FN2/c1-3-13-5-4-6-16(17)15(13)11-19-9-7-14(8-10-19)12(2)18/h4-6,12,14H,3,7-11,18H2,1-2H3
InChIKeyDUCZYPIVGGVXLW-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine
CID 120834571
1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838218
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836422
1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838596
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
(3S)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine
CID 120845888
(3R)-1-[(2-ethyl-6-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120845639
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63848044
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
1-[1-[(2-fluoro-6-nitrophenyl)methyl]piperidin-4-yl]ethanol
CID 111114038
2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline
CID 113417882

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine (CID 120838232) is 1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine is CCc1cccc(F)c1CN1CCC(C(C)N)CC1.
What is the InChIKey of 1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is DUCZYPIVGGVXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-13-5-4-6-16(17)15(13)11-19-9-7-14(8-10-19)12(2)18/h4-6,12,14H,3,7-11,18H2,1-2H3.
What are the key properties of 1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 264.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 120838232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).