2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine

C15H22ClFN2 — CID 117045104

IUPAC2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine
SMILESCc1cc(Cl)c(CN2CCCC(CCN)C2)cc1F
InChIInChI=1S/C15H22ClFN2/c1-11-7-14(16)13(8-15(11)17)10-19-6-2-3-12(9-19)4-5-18/h7-8,12H,2-6,9-10,18H2,1H3
InChIKeyKQLAWYNTNGKVGB-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.35
Rot. Bonds4

About 2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine

2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine (PubChem CID 117045104) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine
PubChem CID117045104
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine
SMILESCc1cc(Cl)c(CN2CCCC(CCN)C2)cc1F
InChIInChI=1S/C15H22ClFN2/c1-11-7-14(16)13(8-15(11)17)10-19-6-2-3-12(9-19)4-5-18/h7-8,12H,2-6,9-10,18H2,1H3
InChIKeyKQLAWYNTNGKVGB-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728637
2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 112652826
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
2-[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperazin-1-yl]ethanamine
CID 117045111
[3-(2-aminoethyl)piperidin-1-yl]-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 117044955
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728516
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
2-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846304

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine (CID 117045104) is 2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine is Cc1cc(Cl)c(CN2CCCC(CCN)C2)cc1F.
What is the InChIKey of 2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is KQLAWYNTNGKVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-11-7-14(16)13(8-15(11)17)10-19-6-2-3-12(9-19)4-5-18/h7-8,12H,2-6,9-10,18H2,1H3.
What are the key properties of 2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine?
2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 117045104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).