2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol

C12H15F2NO — CID 117326698

IUPAC2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
SMILESNCC1(c2cc(C(F)F)ccc2O)CCC1
InChIInChI=1S/C12H15F2NO/c13-11(14)8-2-3-10(16)9(6-8)12(7-15)4-1-5-12/h2-3,6,11,16H,1,4-5,7,15H2
InChIKeyUEKMQFXXRKVRCV-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.71
Rot. Bonds3

About 2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol

2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol (PubChem CID 117326698) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
PubChem CID117326698
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
SMILESNCC1(c2cc(C(F)F)ccc2O)CCC1
InChIInChI=1S/C12H15F2NO/c13-11(14)8-2-3-10(16)9(6-8)12(7-15)4-1-5-12/h2-3,6,11,16H,1,4-5,7,15H2
InChIKeyUEKMQFXXRKVRCV-UHFFFAOYSA-N
XLogP2.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol
CID 117391271
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine
CID 117369663
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
[1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine
CID 117366355
[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
CID 117426647
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol
CID 117301474
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
1-[5-(difluoromethyl)-2-hydroxyphenyl]cyclopropane-1-carboxylic acid
CID 117328253
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol (CID 117326698) is 2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol is NCC1(c2cc(C(F)F)ccc2O)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol?
The InChIKey is UEKMQFXXRKVRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-11(14)8-2-3-10(16)9(6-8)12(7-15)4-1-5-12/h2-3,6,11,16H,1,4-5,7,15H2.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol?
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol has a molecular weight of 227.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol is sourced from PubChem (CID 117326698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).