N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine

C16H25FN2O — CID 104792400

IUPACN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1Cc1cccc(OC)c1F
InChIInChI=1S/C16H25FN2O/c1-3-18-11-14-8-4-5-10-19(14)12-13-7-6-9-15(20-2)16(13)17/h6-7,9,14,18H,3-5,8,10-12H2,1-2H3
InChIKeyXZGGNJDRDYHMRF-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.80
Rot. Bonds6

About N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine

N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine (PubChem CID 104792400) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
PubChem CID104792400
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1Cc1cccc(OC)c1F
InChIInChI=1S/C16H25FN2O/c1-3-18-11-14-8-4-5-10-19(14)12-13-7-6-9-15(20-2)16(13)17/h6-7,9,14,18H,3-5,8,10-12H2,1-2H3
InChIKeyXZGGNJDRDYHMRF-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 104794526
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113453609
3-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]propanoic acid
CID 104792731
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 62580393
N-[[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 62580390
(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 124625332
N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 55220491
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
N-[[1-[(2-methyl-3-nitrophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 63847296
N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62580892
1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 104792418
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 65446383

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine (CID 104792400) is N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1Cc1cccc(OC)c1F.
What is the InChIKey of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine?
The InChIKey is XZGGNJDRDYHMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-18-11-14-8-4-5-10-19(14)12-13-7-6-9-15(20-2)16(13)17/h6-7,9,14,18H,3-5,8,10-12H2,1-2H3.
What are the key properties of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine?
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 104792400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).