1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol

C16H24FNO — CID 19823854

IUPAC1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
SMILESCCC(C)(O)CC(N)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H24FNO/c1-3-15(2,19)11-14(18)16(9-4-10-16)12-5-7-13(17)8-6-12/h5-8,14,19H,3-4,9-11,18H2,1-2H3
InChIKeyGFSMGHLRZDTOAT-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.13
Rot. Bonds5

About 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol

1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol (PubChem CID 19823854) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
PubChem CID19823854
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
SMILESCCC(C)(O)CC(N)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H24FNO/c1-3-15(2,19)11-14(18)16(9-4-10-16)12-5-7-13(17)8-6-12/h5-8,14,19H,3-4,9-11,18H2,1-2H3
InChIKeyGFSMGHLRZDTOAT-UHFFFAOYSA-N
XLogP3.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-2-methyl-4-phenylbutan-2-ol
CID 26748
3-(Aminomethyl)-3-phenyl-1-(trifluoromethyl)cyclobutan-1-ol hydrochloride
CID 132344007
3-Amino-1-[(3-fluorophenyl)methyl]cyclobutan-1-ol
CID 75539639
1-(3-Fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024897
1-(2,4-Difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103025004
1-(4-Fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine
CID 103026178
1-(3,4-Difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103028975
1-(4-Fluoro-2-methylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029469
1-(2,6-Difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029514
1-(3,5-Difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029524
4-(1-Amino-2-phenylethyl)hepta-1,6-dien-4-ol
CID 3138071
2-(Aminomethyl)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methylpentan-2-ol
CID 17935623

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol?
The IUPAC name of 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol (CID 19823854) is 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol.
What is the SMILES notation for 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol?
The canonical SMILES for 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol is CCC(C)(O)CC(N)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol?
The InChIKey is GFSMGHLRZDTOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-15(2,19)11-14(18)16(9-4-10-16)12-5-7-13(17)8-6-12/h5-8,14,19H,3-4,9-11,18H2,1-2H3.
What are the key properties of 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol?
1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol has a molecular weight of 265.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol is sourced from PubChem (CID 19823854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).