3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol

C13H18FNO — CID 107715430

IUPAC3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol
SMILESCC1CC(NC(C)c2ccc(O)cc2F)C1
InChIInChI=1S/C13H18FNO/c1-8-5-10(6-8)15-9(2)12-4-3-11(16)7-13(12)14/h3-4,7-10,15-16H,5-6H2,1-2H3
InChIKeyUKUQVVXJLMBPCC-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.98
Rot. Bonds3

About 3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol

3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol (PubChem CID 107715430) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol
PubChem CID107715430
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol
SMILESCC1CC(NC(C)c2ccc(O)cc2F)C1
InChIInChI=1S/C13H18FNO/c1-8-5-10(6-8)15-9(2)12-4-3-11(16)7-13(12)14/h3-4,7-10,15-16H,5-6H2,1-2H3
InChIKeyUKUQVVXJLMBPCC-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[1-[(3-methylcyclohexyl)amino]ethyl]phenol
CID 107714719
3-fluoro-4-[1-(thian-3-ylamino)ethyl]phenol
CID 107715457
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892417
4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
CID 107715312
3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol
CID 107715127
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol
CID 107715160
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429585
3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
CID 107715105
4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715286
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562140

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol (CID 107715430) is 3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol is CC1CC(NC(C)c2ccc(O)cc2F)C1.
What is the InChIKey of 3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol?
The InChIKey is UKUQVVXJLMBPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-8-5-10(6-8)15-9(2)12-4-3-11(16)7-13(12)14/h3-4,7-10,15-16H,5-6H2,1-2H3.
What are the key properties of 3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol?
3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol has a molecular weight of 223.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol is sourced from PubChem (CID 107715430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).