2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol

C16H21F2NO — CID 63683000

IUPAC2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNCC1CC2CCC1C2)c1c(F)cccc1F
InChIInChI=1S/C16H21F2NO/c17-13-2-1-3-14(18)16(13)15(20)9-19-8-12-7-10-4-5-11(12)6-10/h1-3,10-12,15,19-20H,4-9H2
InChIKeyDFMIGKHDLZWDCW-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.02
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol

2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol (PubChem CID 63683000) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol
PubChem CID63683000
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNCC1CC2CCC1C2)c1c(F)cccc1F
InChIInChI=1S/C16H21F2NO/c17-13-2-1-3-14(18)16(13)15(20)9-19-8-12-7-10-4-5-11(12)6-10/h1-3,10-12,15,19-20H,4-9H2
InChIKeyDFMIGKHDLZWDCW-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol
CID 63681601
2-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 64911588
4-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)butan-2-ol
CID 65186189
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone
CID 114973514
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62733927
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 111701838
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 115784962
1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116017
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2-fluorophenyl)thiourea
CID 27138065
2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
CID 60896945

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol (CID 63683000) is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol is OC(CNCC1CC2CCC1C2)c1c(F)cccc1F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol?
The InChIKey is DFMIGKHDLZWDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c17-13-2-1-3-14(18)16(13)15(20)9-19-8-12-7-10-4-5-11(12)6-10/h1-3,10-12,15,19-20H,4-9H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol?
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol has a molecular weight of 281.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 63683000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).