1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol

C16H24FNO — CID 43614231

IUPAC1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1N(C)C1CCCCCC1
InChIInChI=1S/C16H24FNO/c1-12(19)15-11-13(17)9-10-16(15)18(2)14-7-5-3-4-6-8-14/h9-12,14,19H,3-8H2,1-2H3
InChIKeyGMUDABVMDCAZCN-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.04
Rot. Bonds3

About 1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol

1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol (PubChem CID 43614231) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
PubChem CID43614231
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1N(C)C1CCCCCC1
InChIInChI=1S/C16H24FNO/c1-12(19)15-11-13(17)9-10-16(15)18(2)14-7-5-3-4-6-8-14/h9-12,14,19H,3-8H2,1-2H3
InChIKeyGMUDABVMDCAZCN-UHFFFAOYSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone
CID 43176961
1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
CID 43506129
(1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol
CID 104873578
2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile
CID 63667669
(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol
CID 82929051
1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol
CID 64520190
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
CID 55189609
1-[5-bromo-2-[methyl-(3-methylcyclohexyl)amino]phenyl]ethanol
CID 82969824

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol (CID 43614231) is 1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol is CC(O)c1cc(F)ccc1N(C)C1CCCCCC1.
What is the InChIKey of 1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol?
The InChIKey is GMUDABVMDCAZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12(19)15-11-13(17)9-10-16(15)18(2)14-7-5-3-4-6-8-14/h9-12,14,19H,3-8H2,1-2H3.
What are the key properties of 1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol?
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol has a molecular weight of 265.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol is sourced from PubChem (CID 43614231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).