2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine

C14H21FN2 — CID 114075463

IUPAC2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
SMILESCc1ccc(F)cc1C(CN)N1CCCCC1
InChIInChI=1S/C14H21FN2/c1-11-5-6-12(15)9-13(11)14(10-16)17-7-3-2-4-8-17/h5-6,9,14H,2-4,7-8,10,16H2,1H3
InChIKeyDFEJSUQOXLPMCN-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.62
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine

2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine (PubChem CID 114075463) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
PubChem CID114075463
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
SMILESCc1ccc(F)cc1C(CN)N1CCCCC1
InChIInChI=1S/C14H21FN2/c1-11-5-6-12(15)9-13(11)14(10-16)17-7-3-2-4-8-17/h5-6,9,14H,2-4,7-8,10,16H2,1H3
InChIKeyDFEJSUQOXLPMCN-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 93285194
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624416
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine
CID 82302971
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233
2-(azocan-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817246
2-(3,5-difluorophenyl)-2-piperidin-1-ylethanamine
CID 106528476
2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
CID 112562567
2-(2,5-dimethylphenyl)-2-thiomorpholin-4-ylethanamine
CID 54977844
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine (CID 114075463) is 2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine is Cc1ccc(F)cc1C(CN)N1CCCCC1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine?
The InChIKey is DFEJSUQOXLPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-5-6-12(15)9-13(11)14(10-16)17-7-3-2-4-8-17/h5-6,9,14H,2-4,7-8,10,16H2,1H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine?
2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 114075463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).