4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol

C10H11F2NO — CID 84775167

IUPAC4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
SMILESNCC1(c2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C10H11F2NO/c11-7-3-6(4-8(12)9(7)14)10(5-13)1-2-10/h3-4,14H,1-2,5,13H2
InChIKeyLANKQFGJNYGPNC-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.66
Rot. Bonds2

About 4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol

4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol (PubChem CID 84775167) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
PubChem CID84775167
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
SMILESNCC1(c2cc(F)c(O)c(F)c2)CC1
InChIInChI=1S/C10H11F2NO/c11-7-3-6(4-8(12)9(7)14)10(5-13)1-2-10/h3-4,14H,1-2,5,13H2
InChIKeyLANKQFGJNYGPNC-UHFFFAOYSA-N
XLogP1.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117286781
[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
CID 84806909
5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid
CID 117421573
5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol
CID 84814384
5-[1-(aminomethyl)cyclopropyl]-2,3-difluorobenzoic acid
CID 117326286
4-[1-(aminomethyl)cyclopentyl]-2,6-difluorobenzoic acid
CID 117390771
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
4-[1-(aminomethyl)cyclohexyl]-2,6-difluorobenzoic acid
CID 117426291
[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298894
5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
CID 117113164
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol?
The IUPAC name of 4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol (CID 84775167) is 4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol?
The canonical SMILES for 4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol is NCC1(c2cc(F)c(O)c(F)c2)CC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol?
The InChIKey is LANKQFGJNYGPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-7-3-6(4-8(12)9(7)14)10(5-13)1-2-10/h3-4,14H,1-2,5,13H2.
What are the key properties of 4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol?
4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol has a molecular weight of 199.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol is sourced from PubChem (CID 84775167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).