[3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol

C15H16FNO2 — CID 63289394

IUPAC[3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol
SMILESNCc1cc(F)ccc1COc1cccc(CO)c1
InChIInChI=1S/C15H16FNO2/c16-14-5-4-12(13(7-14)8-17)10-19-15-3-1-2-11(6-15)9-18/h1-7,18H,8-10,17H2
InChIKeyYDIHZLCIBSFWEK-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.36
Rot. Bonds5

About [3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol

[3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol (PubChem CID 63289394) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol
PubChem CID63289394
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol
SMILESNCc1cc(F)ccc1COc1cccc(CO)c1
InChIInChI=1S/C15H16FNO2/c16-14-5-4-12(13(7-14)8-17)10-19-15-3-1-2-11(6-15)9-18/h1-7,18H,8-10,17H2
InChIKeyYDIHZLCIBSFWEK-UHFFFAOYSA-N
XLogP2.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol
CID 102663566
[2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine
CID 63289311
2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid
CID 115460733
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
[3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methoxy]phenyl]methanol
CID 79698141
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
[3-(oxiren-2-ylmethoxy)phenyl]methanol
CID 163982140
ethane;[3-(2-fluoroethoxy)phenyl]methanol
CID 144572015
5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol?
The IUPAC name of [3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol (CID 63289394) is [3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol?
The canonical SMILES for [3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol is NCc1cc(F)ccc1COc1cccc(CO)c1.
What is the InChIKey of [3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol?
The InChIKey is YDIHZLCIBSFWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-14-5-4-12(13(7-14)8-17)10-19-15-3-1-2-11(6-15)9-18/h1-7,18H,8-10,17H2.
What are the key properties of [3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol?
[3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol has a molecular weight of 261.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 63289394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).