5-(aminomethyl)-2-(difluoromethoxy)phenol

C8H9F2NO2 — CID 59300031

IUPAC5-(aminomethyl)-2-(difluoromethoxy)phenol
SMILESNCc1ccc(OC(F)F)c(O)c1
InChIInChI=1S/C8H9F2NO2/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-3,8,12H,4,11H2
InChIKeySWXVHEQIANJCFG-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.45
Rot. Bonds3

About 5-(aminomethyl)-2-(difluoromethoxy)phenol

5-(aminomethyl)-2-(difluoromethoxy)phenol (PubChem CID 59300031) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(difluoromethoxy)phenol.

Molecular Properties

Compound Name5-(aminomethyl)-2-(difluoromethoxy)phenol
PubChem CID59300031
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name5-(aminomethyl)-2-(difluoromethoxy)phenol
SMILESNCc1ccc(OC(F)F)c(O)c1
InChIInChI=1S/C8H9F2NO2/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-3,8,12H,4,11H2
InChIKeySWXVHEQIANJCFG-UHFFFAOYSA-N
XLogP1.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118835915
5-(aminomethyl)-2-methoxyphenol
CID 1132998
[4-(difluoromethoxy)-3-(trifluoromethoxy)phenyl]methanamine
CID 170998587
ethyl 3-[4-(difluoromethoxy)-3-hydroxyphenyl]propanoate
CID 134632626
2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 137454022
ethyl 4-(difluoromethoxy)-3-hydroxybenzoate
CID 125496568
4-(aminomethyl)-2-(difluoromethyl)phenol
CID 84654551
[2-(difluoromethoxy)-5-(methoxymethyl)phenyl]methanamine
CID 90155936
4-(difluoromethoxy)-3-hydroxybenzoic acid
CID 59224129
5-(aminomethyl)-2-fluorophenol;hydrobromide
CID 68744209
5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride
CID 68694681
1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
CID 134616422

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(difluoromethoxy)phenol?
The IUPAC name of 5-(aminomethyl)-2-(difluoromethoxy)phenol (CID 59300031) is 5-(aminomethyl)-2-(difluoromethoxy)phenol.
What is the SMILES notation for 5-(aminomethyl)-2-(difluoromethoxy)phenol?
The canonical SMILES for 5-(aminomethyl)-2-(difluoromethoxy)phenol is NCc1ccc(OC(F)F)c(O)c1.
What is the InChIKey of 5-(aminomethyl)-2-(difluoromethoxy)phenol?
The InChIKey is SWXVHEQIANJCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-3,8,12H,4,11H2.
What are the key properties of 5-(aminomethyl)-2-(difluoromethoxy)phenol?
5-(aminomethyl)-2-(difluoromethoxy)phenol has a molecular weight of 189.16 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(difluoromethoxy)phenol is sourced from PubChem (CID 59300031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).