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

C16H25FN2O — CID 106632656

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1cccc(OC)c1F)CC1CCCCN1
InChIInChI=1S/C16H25FN2O/c1-3-19(12-14-8-4-5-10-18-14)11-13-7-6-9-15(20-2)16(13)17/h6-7,9,14,18H,3-5,8,10-12H2,1-2H3
InChIKeyJCHDWSIZHQBSCT-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.80
Rot. Bonds6

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

N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106632656) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106632656
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1cccc(OC)c1F)CC1CCCCN1
InChIInChI=1S/C16H25FN2O/c1-3-19(12-14-8-4-5-10-18-14)11-13-7-6-9-15(20-2)16(13)17/h6-7,9,14,18H,3-5,8,10-12H2,1-2H3
InChIKeyJCHDWSIZHQBSCT-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

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885
N-[[2-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603473
2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol
CID 106623254
N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106622610
N-(naphthalen-1-ylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603263
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603284
2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106603811
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-(pyrrolidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106603566
2-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-4-fluorobenzonitrile
CID 106632757
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615580
2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine
CID 104792599

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine (CID 106632656) is N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine is CCN(Cc1cccc(OC)c1F)CC1CCCCN1.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is JCHDWSIZHQBSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-19(12-14-8-4-5-10-18-14)11-13-7-6-9-15(20-2)16(13)17/h6-7,9,14,18H,3-5,8,10-12H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine?
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)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-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106632656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).