4-[4-(aminomethyl)-3-fluorophenyl]phenol

C13H12FNO — CID 71100471

IUPAC4-[4-(aminomethyl)-3-fluorophenyl]phenol
SMILESNCc1ccc(-c2ccc(O)cc2)cc1F
InChIInChI=1S/C13H12FNO/c14-13-7-10(1-2-11(13)8-15)9-3-5-12(16)6-4-9/h1-7,16H,8,15H2
InChIKeyLVCBGMZZQOVKAH-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.66
Rot. Bonds2

About 4-[4-(aminomethyl)-3-fluorophenyl]phenol

4-[4-(aminomethyl)-3-fluorophenyl]phenol (PubChem CID 71100471) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-3-fluorophenyl]phenol.

Molecular Properties

Compound Name4-[4-(aminomethyl)-3-fluorophenyl]phenol
PubChem CID71100471
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name4-[4-(aminomethyl)-3-fluorophenyl]phenol
SMILESNCc1ccc(-c2ccc(O)cc2)cc1F
InChIInChI=1S/C13H12FNO/c14-13-7-10(1-2-11(13)8-15)9-3-5-12(16)6-4-9/h1-7,16H,8,15H2
InChIKeyLVCBGMZZQOVKAH-UHFFFAOYSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,5-dimethylphenyl)-2-fluorophenyl]methanamine
CID 54912650
[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
CID 54911715
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride
CID 172650769
[2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine
CID 61033431
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
[4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride
CID 171392254
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
2-[4-(4-hydroxyphenyl)-2-methylphenyl]acetic acid
CID 69250677
4-(4-ethyl-3-fluorophenyl)-2-fluorophenol;rubidium(1+)
CID 59942858
2-[2-(aminomethyl)-5-phenylphenyl]acetic acid
CID 67211965
4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol
CID 175346756
4-(aminooxymethyl)-3-fluorophenol
CID 117276067

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-3-fluorophenyl]phenol?
The IUPAC name of 4-[4-(aminomethyl)-3-fluorophenyl]phenol (CID 71100471) is 4-[4-(aminomethyl)-3-fluorophenyl]phenol.
What is the SMILES notation for 4-[4-(aminomethyl)-3-fluorophenyl]phenol?
The canonical SMILES for 4-[4-(aminomethyl)-3-fluorophenyl]phenol is NCc1ccc(-c2ccc(O)cc2)cc1F.
What is the InChIKey of 4-[4-(aminomethyl)-3-fluorophenyl]phenol?
The InChIKey is LVCBGMZZQOVKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c14-13-7-10(1-2-11(13)8-15)9-3-5-12(16)6-4-9/h1-7,16H,8,15H2.
What are the key properties of 4-[4-(aminomethyl)-3-fluorophenyl]phenol?
4-[4-(aminomethyl)-3-fluorophenyl]phenol has a molecular weight of 217.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-3-fluorophenyl]phenol is sourced from PubChem (CID 71100471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).