4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol

C15H21F2NO — CID 115149605

IUPAC4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol
SMILESCN(CCc1cc(F)ccc1F)C1CCC(O)CC1
InChIInChI=1S/C15H21F2NO/c1-18(13-3-5-14(19)6-4-13)9-8-11-10-12(16)2-7-15(11)17/h2,7,10,13-14,19H,3-6,8-9H2,1H3
InChIKeyDMXFNGVVBXSWTA-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.74
Rot. Bonds4

About 4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol

4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol (PubChem CID 115149605) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol
PubChem CID115149605
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol
SMILESCN(CCc1cc(F)ccc1F)C1CCC(O)CC1
InChIInChI=1S/C15H21F2NO/c1-18(13-3-5-14(19)6-4-13)9-8-11-10-12(16)2-7-15(11)17/h2,7,10,13-14,19H,3-6,8-9H2,1H3
InChIKeyDMXFNGVVBXSWTA-UHFFFAOYSA-N
XLogP2.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149914
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 116928452
2-[2-(2,5-difluorophenyl)ethyl-methylamino]ethanol
CID 115216384
2-chloro-N-[2-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 115162189
4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149918
N-[2-(2,5-difluorophenyl)ethyl]-N-methylazetidine-3-carboxamide
CID 115159086
3-(2,5-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443603
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
CID 107694443
2-(2,5-difluorophenyl)-N-(4-hydroxycyclohexyl)acetamide
CID 111470021
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137787
1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190020

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol (CID 115149605) is 4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol is CN(CCc1cc(F)ccc1F)C1CCC(O)CC1.
What is the InChIKey of 4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol?
The InChIKey is DMXFNGVVBXSWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-18(13-3-5-14(19)6-4-13)9-8-11-10-12(16)2-7-15(11)17/h2,7,10,13-14,19H,3-6,8-9H2,1H3.
What are the key properties of 4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol?
4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol has a molecular weight of 269.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-difluorophenyl)ethyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 115149605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).