4-(aminomethyl)-2-(difluoromethyl)phenol

C8H9F2NO — CID 84654551

IUPAC4-(aminomethyl)-2-(difluoromethyl)phenol
SMILESNCc1ccc(O)c(C(F)F)c1
InChIInChI=1S/C8H9F2NO/c9-8(10)6-3-5(4-11)1-2-7(6)12/h1-3,8,12H,4,11H2
InChIKeyPVTQDFUHQKFWQY-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.79
Rot. Bonds2

About 4-(aminomethyl)-2-(difluoromethyl)phenol

4-(aminomethyl)-2-(difluoromethyl)phenol (PubChem CID 84654551) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(difluoromethyl)phenol.

Molecular Properties

Compound Name4-(aminomethyl)-2-(difluoromethyl)phenol
PubChem CID84654551
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name4-(aminomethyl)-2-(difluoromethyl)phenol
SMILESNCc1ccc(O)c(C(F)F)c1
InChIInChI=1S/C8H9F2NO/c9-8(10)6-3-5(4-11)1-2-7(6)12/h1-3,8,12H,4,11H2
InChIKeyPVTQDFUHQKFWQY-UHFFFAOYSA-N
XLogP1.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-amino-2-hydroxyethyl]-4-(aminomethyl)phenol
CID 55274535
[4-(difluoromethyl)-3-fluorophenyl]methanamine
CID 84655122
4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol
CID 105484504
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
5-(aminomethyl)-2-(difluoromethyl)benzoic acid
CID 123850880
5-(aminomethyl)-2-(difluoromethoxy)phenol
CID 59300031
2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
CID 84659168
4-(aminooxymethyl)-2-(1-fluoroethyl)phenol
CID 117280118
5-(aminomethyl)-2-fluorophenol;hydrobromide
CID 68744209
4-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
CID 67041844
2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol
CID 117355163
2-[(1S)-1,2-diaminoethyl]-4-(hydroxymethyl)phenol
CID 55264057

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)phenol?
The IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)phenol (CID 84654551) is 4-(aminomethyl)-2-(difluoromethyl)phenol.
What is the SMILES notation for 4-(aminomethyl)-2-(difluoromethyl)phenol?
The canonical SMILES for 4-(aminomethyl)-2-(difluoromethyl)phenol is NCc1ccc(O)c(C(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-2-(difluoromethyl)phenol?
The InChIKey is PVTQDFUHQKFWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c9-8(10)6-3-5(4-11)1-2-7(6)12/h1-3,8,12H,4,11H2.
What are the key properties of 4-(aminomethyl)-2-(difluoromethyl)phenol?
4-(aminomethyl)-2-(difluoromethyl)phenol has a molecular weight of 173.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(difluoromethyl)phenol is sourced from PubChem (CID 84654551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).