3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol

C12H16FNO — CID 105372944

IUPAC3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol
SMILESCc1ccc(F)cc1CC1(O)CC(N)C1
InChIInChI=1S/C12H16FNO/c1-8-2-3-10(13)4-9(8)5-12(15)6-11(14)7-12/h2-4,11,15H,5-7,14H2,1H3
InChIKeyPPNVSSRPXSNJPB-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.53
Rot. Bonds2

About 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol

3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol (PubChem CID 105372944) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol
PubChem CID105372944
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol
SMILESCc1ccc(F)cc1CC1(O)CC(N)C1
InChIInChI=1S/C12H16FNO/c1-8-2-3-10(13)4-9(8)5-12(15)6-11(14)7-12/h2-4,11,15H,5-7,14H2,1H3
InChIKeyPPNVSSRPXSNJPB-UHFFFAOYSA-N
XLogP1.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol
CID 102617389
3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962325
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690
3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol
CID 114346957
3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105376474
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388
4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105373052
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105373056
5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
CID 105373031
2-cyclopropyl-3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-amine
CID 105375834
1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 114346880

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol (CID 105372944) is 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol is Cc1ccc(F)cc1CC1(O)CC(N)C1.
What is the InChIKey of 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol?
The InChIKey is PPNVSSRPXSNJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-2-3-10(13)4-9(8)5-12(15)6-11(14)7-12/h2-4,11,15H,5-7,14H2,1H3.
What are the key properties of 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol?
3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol has a molecular weight of 209.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 105372944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).