1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol

C13H19NO — CID 117113123

IUPAC1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
SMILESCC(O)c1cccc(C2(CN)CCC2)c1
InChIInChI=1S/C13H19NO/c1-10(15)11-4-2-5-12(8-11)13(9-14)6-3-7-13/h2,4-5,8,10,15H,3,6-7,9,14H2,1H3
InChIKeyUPSQAGBFMIWWRA-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.12
Rot. Bonds3

About 1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol

1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol (PubChem CID 117113123) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
PubChem CID117113123
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol
SMILESCC(O)c1cccc(C2(CN)CCC2)c1
InChIInChI=1S/C13H19NO/c1-10(15)11-4-2-5-12(8-11)13(9-14)6-3-7-13/h2,4-5,8,10,15H,3,6-7,9,14H2,1H3
InChIKeyUPSQAGBFMIWWRA-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
[1-[3-(1-methoxyethyl)phenyl]cyclopentyl]methanamine
CID 117113249
[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117310036
[3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol
CID 84609425
3-[1-(aminomethyl)cyclobutyl]-N,N-dimethylaniline
CID 82609365
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
1-[4-[1-(aminomethyl)cyclobutyl]phenyl]ethane-1,2-diol
CID 117316559
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
CID 117113390
2-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-1-ol
CID 117113422

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol?
The IUPAC name of 1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol (CID 117113123) is 1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol?
The canonical SMILES for 1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol is CC(O)c1cccc(C2(CN)CCC2)c1.
What is the InChIKey of 1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol?
The InChIKey is UPSQAGBFMIWWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(15)11-4-2-5-12(8-11)13(9-14)6-3-7-13/h2,4-5,8,10,15H,3,6-7,9,14H2,1H3.
What are the key properties of 1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol?
1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol has a molecular weight of 205.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(aminomethyl)cyclobutyl]phenyl]ethanol is sourced from PubChem (CID 117113123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).