2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol

C14H19F2NO — CID 117391271

IUPAC2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol
SMILESNCC1(c2ccc(C(F)F)cc2O)CCCCC1
InChIInChI=1S/C14H19F2NO/c15-13(16)10-4-5-11(12(18)8-10)14(9-17)6-2-1-3-7-14/h4-5,8,13,18H,1-3,6-7,9,17H2
InChIKeyLRVFJNTZGOGPIP-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.49
Rot. Bonds3

About 2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol

2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol (PubChem CID 117391271) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol
PubChem CID117391271
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol
SMILESNCC1(c2ccc(C(F)F)cc2O)CCCCC1
InChIInChI=1S/C14H19F2NO/c15-13(16)10-4-5-11(12(18)8-10)14(9-17)6-2-1-3-7-14/h4-5,8,13,18H,1-3,6-7,9,17H2
InChIKeyLRVFJNTZGOGPIP-UHFFFAOYSA-N
XLogP3.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698
[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
CID 117426647
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol
CID 117452768
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine
CID 117369663

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol (CID 117391271) is 2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol is NCC1(c2ccc(C(F)F)cc2O)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol?
The InChIKey is LRVFJNTZGOGPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-13(16)10-4-5-11(12(18)8-10)14(9-17)6-2-1-3-7-14/h4-5,8,13,18H,1-3,6-7,9,17H2.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol?
2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol has a molecular weight of 255.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol is sourced from PubChem (CID 117391271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).