3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol

C15H22FNO2 — CID 115977664

IUPAC3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCOc1cccc(F)c1C(C)NC1CC(O)C1(C)C
InChIInChI=1S/C15H22FNO2/c1-9(17-12-8-13(18)15(12,2)3)14-10(16)6-5-7-11(14)19-4/h5-7,9,12-13,17-18H,8H2,1-4H3
InChIKeyWLJHUXOFROKZJU-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.64
Rot. Bonds4

About 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol

3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 115977664) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID115977664
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCOc1cccc(F)c1C(C)NC1CC(O)C1(C)C
InChIInChI=1S/C15H22FNO2/c1-9(17-12-8-13(18)15(12,2)3)14-10(16)6-5-7-11(14)19-4/h5-7,9,12-13,17-18H,8H2,1-4H3
InChIKeyWLJHUXOFROKZJU-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine
CID 112568297
3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633776
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine
CID 103082815
4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol
CID 114629015
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103926269
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol
CID 114750572
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115724414

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol (CID 115977664) is 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol is COc1cccc(F)c1C(C)NC1CC(O)C1(C)C.
What is the InChIKey of 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is WLJHUXOFROKZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-9(17-12-8-13(18)15(12,2)3)14-10(16)6-5-7-11(14)19-4/h5-7,9,12-13,17-18H,8H2,1-4H3.
What are the key properties of 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 115977664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).