4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol

C15H22FNO — CID 113423514

IUPAC4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol
SMILESCC1CCC(NCc2ccc(O)c(F)c2)C(C)C1
InChIInChI=1S/C15H22FNO/c1-10-3-5-14(11(2)7-10)17-9-12-4-6-15(18)13(16)8-12/h4,6,8,10-11,14,17-18H,3,5,7,9H2,1-2H3
InChIKeyPCVIENRJBGLIIZ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.45
Rot. Bonds3

About 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol

4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol (PubChem CID 113423514) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol
PubChem CID113423514
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol
SMILESCC1CCC(NCc2ccc(O)c(F)c2)C(C)C1
InChIInChI=1S/C15H22FNO/c1-10-3-5-14(11(2)7-10)17-9-12-4-6-15(18)13(16)8-12/h4,6,8,10-11,14,17-18H,3,5,7,9H2,1-2H3
InChIKeyPCVIENRJBGLIIZ-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
N-[(4-bromo-3-methylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66474224
N-[(4-tert-butylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994093
N-[(2,6-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994650
N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995268
N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62396100
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995059
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994455

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol (CID 113423514) is 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol is CC1CCC(NCc2ccc(O)c(F)c2)C(C)C1.
What is the InChIKey of 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol?
The InChIKey is PCVIENRJBGLIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-3-5-14(11(2)7-10)17-9-12-4-6-15(18)13(16)8-12/h4,6,8,10-11,14,17-18H,3,5,7,9H2,1-2H3.
What are the key properties of 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol?
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol has a molecular weight of 251.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-fluorophenol is sourced from PubChem (CID 113423514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).