2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol

C13H17F2NO — CID 115044146

IUPAC2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol
SMILESNCC1(c2ccccc2O)CCC(F)(F)CC1
InChIInChI=1S/C13H17F2NO/c14-13(15)7-5-12(9-16,6-8-13)10-3-1-2-4-11(10)17/h1-4,17H,5-9,16H2
InChIKeyFXTSDFCXSCELMK-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.80
Rot. Bonds2

About 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol

2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol (PubChem CID 115044146) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol
PubChem CID115044146
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol
SMILESNCC1(c2ccccc2O)CCC(F)(F)CC1
InChIInChI=1S/C13H17F2NO/c14-13(15)7-5-12(9-16,6-8-13)10-3-1-2-4-11(10)17/h1-4,17H,5-9,16H2
InChIKeyFXTSDFCXSCELMK-UHFFFAOYSA-N
XLogP2.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol
CID 115063001
[1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine
CID 115045654
2-[1-(aminomethyl)cyclopropyl]aniline
CID 82275316
[3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 115051446
2-[1-(sulfanylmethyl)cyclopropyl]phenol
CID 115015755
[1-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CID 46736468
N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide
CID 117314403
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol
CID 117391271
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
2-[1-(fluoromethyl)cyclohexyl]phenol
CID 84722739
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol?
The IUPAC name of 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol (CID 115044146) is 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol.
What is the SMILES notation for 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol?
The canonical SMILES for 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol is NCC1(c2ccccc2O)CCC(F)(F)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol?
The InChIKey is FXTSDFCXSCELMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15)7-5-12(9-16,6-8-13)10-3-1-2-4-11(10)17/h1-4,17H,5-9,16H2.
What are the key properties of 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol?
2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol has a molecular weight of 241.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol is sourced from PubChem (CID 115044146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).