4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol

C18H28FNO — CID 107721132

IUPAC4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol
SMILESCC(c1ccc(O)cc1F)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H28FNO/c1-13(16-8-7-15(21)12-17(16)19)20-10-5-6-14(9-11-20)18(2,3)4/h7-8,12-14,21H,5-6,9-11H2,1-4H3
InChIKeyUFCPWNMWTDCHHZ-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.74
Rot. Bonds2

About 4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol

4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol (PubChem CID 107721132) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol
PubChem CID107721132
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol
SMILESCC(c1ccc(O)cc1F)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H28FNO/c1-13(16-8-7-15(21)12-17(16)19)20-10-5-6-14(9-11-20)18(2,3)4/h7-8,12-14,21H,5-6,9-11H2,1-4H3
InChIKeyUFCPWNMWTDCHHZ-UHFFFAOYSA-N
XLogP4.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-tert-butylazepan-1-yl)ethyl]-4-fluorophenol
CID 82965409
2-[1-(4-tert-butylazepan-1-yl)ethyl]-5-methylphenol
CID 82965233
5-[1-(4-tert-butylazepan-1-yl)ethyl]benzene-1,3-diol
CID 107708134
4-[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-3-fluorophenol
CID 107720997
4-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-fluorophenol
CID 107721149
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-4-chlorophenol
CID 82980108
3-fluoro-4-[1-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenol
CID 107721024
3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol
CID 107721087
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948
1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
CID 111114048
3-fluoro-4-[1-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]ethyl]phenol
CID 107714678

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol (CID 107721132) is 4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol is CC(c1ccc(O)cc1F)N1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol?
The InChIKey is UFCPWNMWTDCHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-13(16-8-7-15(21)12-17(16)19)20-10-5-6-14(9-11-20)18(2,3)4/h7-8,12-14,21H,5-6,9-11H2,1-4H3.
What are the key properties of 4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol?
4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol has a molecular weight of 293.43 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-tert-butylazepan-1-yl)ethyl]-3-fluorophenol is sourced from PubChem (CID 107721132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).