N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine

C16H25FN2 — CID 115211164

IUPACN-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
SMILESCc1cc(CCNCCC2CCCCN2)ccc1F
InChIInChI=1S/C16H25FN2/c1-13-12-14(5-6-16(13)17)7-10-18-11-8-15-4-2-3-9-19-15/h5-6,12,15,18-19H,2-4,7-11H2,1H3
InChIKeyKBGYPVWYQODGJG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine

N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine (PubChem CID 115211164) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
PubChem CID115211164
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
SMILESCc1cc(CCNCCC2CCCCN2)ccc1F
InChIInChI=1S/C16H25FN2/c1-13-12-14(5-6-16(13)17)7-10-18-11-8-15-4-2-3-9-19-15/h5-6,12,15,18-19H,2-4,7-11H2,1H3
InChIKeyKBGYPVWYQODGJG-UHFFFAOYSA-N
XLogP2.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210410
N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211157
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 117045063
2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine
CID 104703716
N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene
CID 143196331
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238118
N-[(2,5-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211084
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211094
[2-(4-fluoro-3-methylphenyl)ethylamino]methanethiol
CID 115228200
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine (CID 115211164) is N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine is Cc1cc(CCNCCC2CCCCN2)ccc1F.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine?
The InChIKey is KBGYPVWYQODGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13-12-14(5-6-16(13)17)7-10-18-11-8-15-4-2-3-9-19-15/h5-6,12,15,18-19H,2-4,7-11H2,1H3.
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine?
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine has a molecular weight of 264.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine is sourced from PubChem (CID 115211164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).