2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol

C14H20FNO — CID 114835055

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccccc1F)C1(CN)CCC1
InChIInChI=1S/C14H20FNO/c1-13(17,14(10-16)7-4-8-14)9-11-5-2-3-6-12(11)15/h2-3,5-6,17H,4,7-10,16H2,1H3
InChIKeyHTVOHSCQAQIMFF-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.25
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol

2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol (PubChem CID 114835055) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol
PubChem CID114835055
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccccc1F)C1(CN)CCC1
InChIInChI=1S/C14H20FNO/c1-13(17,14(10-16)7-4-8-14)9-11-5-2-3-6-12(11)15/h2-3,5-6,17H,4,7-10,16H2,1H3
InChIKeyHTVOHSCQAQIMFF-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol
CID 113246827
3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
CID 114835046
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
2-[1-(aminomethyl)cyclobutyl]-1-phenylbutan-2-ol
CID 79123735
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
[1-[(2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66024201
1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol
CID 79128874
1-[1-(aminomethyl)cyclobutyl]-1-(2-methoxyphenyl)ethanol
CID 79128526
ethyl 4-(2-fluorophenyl)-3-hydroxy-2,2,3-trimethylbutanoate
CID 114834438
1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol
CID 84720909

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol (CID 114835055) is 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol is CC(O)(Cc1ccccc1F)C1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol?
The InChIKey is HTVOHSCQAQIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-13(17,14(10-16)7-4-8-14)9-11-5-2-3-6-12(11)15/h2-3,5-6,17H,4,7-10,16H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol?
2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol has a molecular weight of 237.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 114835055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).