2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol

C10H20FNO — CID 166655112

IUPAC2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol
SMILESCC1CCC(NCCO)CCC1F
InChIInChI=1S/C10H20FNO/c1-8-2-3-9(12-6-7-13)4-5-10(8)11/h8-10,12-13H,2-7H2,1H3
InChIKeyPLYOZEDDOHZFNH-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.49
Rot. Bonds3

About 2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol

2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol (PubChem CID 166655112) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol
PubChem CID166655112
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol
SMILESCC1CCC(NCCO)CCC1F
InChIInChI=1S/C10H20FNO/c1-8-2-3-9(12-6-7-13)4-5-10(8)11/h8-10,12-13H,2-7H2,1H3
InChIKeyPLYOZEDDOHZFNH-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Ethylcyclohexyl)amino]ethan-1-ol
CID 33788242
1,1,1-Trifluoro-3-(6-methyloctylamino)propan-2-ol
CID 89935850
(2S)-2-[[(S)-cyclopropyl-(2-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol
CID 140515379
(2S)-2-[[(S)-cyclopropyl-(3-fluorocyclohexyl)methyl]amino]-3-methylbutan-1-ol
CID 140515383
2-[(2,6-Dimethylheptan-4-yl)amino]ethan-1-ol
CID 277620
1,1,1-Trifluoro-3-[(6-methylheptan-2-yl)amino]propan-2-ol
CID 63901069
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 65079893
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 65088450
4-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 65091623
1,1,1-Trifluoro-3-[(2-methylcycloheptyl)amino]propan-2-ol
CID 65588854
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 65589070
2-methyl-N-[2-(trifluoromethoxy)ethyl]cycloheptan-1-amine
CID 65803235

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol?
The IUPAC name of 2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol (CID 166655112) is 2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol.
What is the SMILES notation for 2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol?
The canonical SMILES for 2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol is CC1CCC(NCCO)CCC1F.
What is the InChIKey of 2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol?
The InChIKey is PLYOZEDDOHZFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8-2-3-9(12-6-7-13)4-5-10(8)11/h8-10,12-13H,2-7H2,1H3.
What are the key properties of 2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol?
2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol has a molecular weight of 189.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-5-methylcycloheptyl)amino]ethanol is sourced from PubChem (CID 166655112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).