(1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine

C15H23FN2O — CID 79009023

IUPAC(1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1OCC1CCCCN1C
InChIInChI=1S/C15H23FN2O/c1-11(17)15-13(16)7-5-8-14(15)19-10-12-6-3-4-9-18(12)2/h5,7-8,11-12H,3-4,6,9-10,17H2,1-2H3/t11-,12?/m1/s1
InChIKeyLQIGEWRWYSCBHD-JHJMLUEUSA-N
MW266.36 g/mol
LogP2.71
Rot. Bonds4

About (1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine

(1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine (PubChem CID 79009023) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine
PubChem CID79009023
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1OCC1CCCCN1C
InChIInChI=1S/C15H23FN2O/c1-11(17)15-13(16)7-5-8-14(15)19-10-12-6-3-4-9-18(12)2/h5,7-8,11-12H,3-4,6,9-10,17H2,1-2H3/t11-,12?/m1/s1
InChIKeyLQIGEWRWYSCBHD-JHJMLUEUSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine
CID 65467678
2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride
CID 19002688
5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 66110381
3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472075
[6-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 65471873
3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid
CID 65469618
(1R)-1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 55183517
1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 43189015
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
(1S)-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788790
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine (CID 79009023) is (1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine is C[C@@H](N)c1c(F)cccc1OCC1CCCCN1C.
What is the InChIKey of (1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is LQIGEWRWYSCBHD-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(17)15-13(16)7-5-8-14(15)19-10-12-6-3-4-9-18(12)2/h5,7-8,11-12H,3-4,6,9-10,17H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine?
(1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 79009023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).