2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol

C12H16FNO — CID 105463099

IUPAC2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol
SMILESNCC1(C(F)c2ccccc2O)CCC1
InChIInChI=1S/C12H16FNO/c13-11(12(8-14)6-3-7-12)9-4-1-2-5-10(9)15/h1-2,4-5,11,15H,3,6-8,14H2
InChIKeyBQOUMXMXHSCHNT-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.53
Rot. Bonds3

About 2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol

2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol (PubChem CID 105463099) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol
PubChem CID105463099
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol
SMILESNCC1(C(F)c2ccccc2O)CCC1
InChIInChI=1S/C12H16FNO/c13-11(12(8-14)6-3-7-12)9-4-1-2-5-10(9)15/h1-2,4-5,11,15H,3,6-8,14H2
InChIKeyBQOUMXMXHSCHNT-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol
CID 105499407
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol
CID 125454175
[1-(aminomethyl)cyclobutyl]-phenylmethanamine
CID 116943782
1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 116958838
[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol
CID 79123286
[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol
CID 79137587
[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
CID 116944249
2-(difluoromethyl)phenol
CID 21386914
2-[1,4-diamino-3-(2-hydroxyphenyl)butan-2-yl]phenol
CID 170875368
[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol
CID 125454181
[1-(aminomethyl)cyclopentyl]-(2,5-dimethoxyphenyl)methanol
CID 79134964

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol?
The IUPAC name of 2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol (CID 105463099) is 2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol?
The canonical SMILES for 2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol is NCC1(C(F)c2ccccc2O)CCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol?
The InChIKey is BQOUMXMXHSCHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11(12(8-14)6-3-7-12)9-4-1-2-5-10(9)15/h1-2,4-5,11,15H,3,6-8,14H2.
What are the key properties of 2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol?
2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol has a molecular weight of 209.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol is sourced from PubChem (CID 105463099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).