2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine

C15H23FN2 — CID 114053992

IUPAC2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCc1ccc(F)c(C(CN)N2CCCCC2C)c1
InChIInChI=1S/C15H23FN2/c1-11-6-7-14(16)13(9-11)15(10-17)18-8-4-3-5-12(18)2/h6-7,9,12,15H,3-5,8,10,17H2,1-2H3
InChIKeyMVNAFQDTNYZLQZ-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.01
Rot. Bonds3

About 2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine

2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine (PubChem CID 114053992) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
PubChem CID114053992
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCc1ccc(F)c(C(CN)N2CCCCC2C)c1
InChIInChI=1S/C15H23FN2/c1-11-6-7-14(16)13(9-11)15(10-17)18-8-4-3-5-12(18)2/h6-7,9,12,15H,3-5,8,10,17H2,1-2H3
InChIKeyMVNAFQDTNYZLQZ-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 54977741
2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 63667059
2-(2,6-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16786148
2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 55233922
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(2,5-dimethylphenyl)ethanamine
CID 102725788
2-(2-methylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43180363
2-(2-methylpiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanamine
CID 82040647
2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54978141
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 54881939
4-methyl-2-[1-(2-methylazepan-1-yl)ethyl]phenol
CID 82981091
2-isoquinolin-4-yl-2-(2-methylpiperidin-1-yl)ethanamine
CID 104504036

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine (CID 114053992) is 2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine is Cc1ccc(F)c(C(CN)N2CCCCC2C)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
The InChIKey is MVNAFQDTNYZLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-6-7-14(16)13(9-11)15(10-17)18-8-4-3-5-12(18)2/h6-7,9,12,15H,3-5,8,10,17H2,1-2H3.
What are the key properties of 2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine?
2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 114053992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).