2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol

C14H20FNO — CID 83295501

IUPAC2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
SMILESCC1CCC(NCc2cccc(F)c2O)CC1
InChIInChI=1S/C14H20FNO/c1-10-5-7-12(8-6-10)16-9-11-3-2-4-13(15)14(11)17/h2-4,10,12,16-17H,5-9H2,1H3
InChIKeyCCIQEUDAPBNMGM-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.20
Rot. Bonds3

About 2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol

2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol (PubChem CID 83295501) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
PubChem CID83295501
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
SMILESCC1CCC(NCc2cccc(F)c2O)CC1
InChIInChI=1S/C14H20FNO/c1-10-5-7-12(8-6-10)16-9-11-3-2-4-13(15)14(11)17/h2-4,10,12,16-17H,5-9H2,1H3
InChIKeyCCIQEUDAPBNMGM-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102809836
2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951251
2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102795067
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 112607156
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 115757282
N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819
N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide
CID 112606428
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol (CID 83295501) is 2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol is CC1CCC(NCc2cccc(F)c2O)CC1.
What is the InChIKey of 2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol?
The InChIKey is CCIQEUDAPBNMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-5-7-12(8-6-10)16-9-11-3-2-4-13(15)14(11)17/h2-4,10,12,16-17H,5-9H2,1H3.
What are the key properties of 2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol?
2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol has a molecular weight of 237.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 83295501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).