2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol

C11H16FNO — CID 105375163

IUPAC2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1ccc(F)cc1CC(CN)CO
InChIInChI=1S/C11H16FNO/c1-8-2-3-11(12)5-10(8)4-9(6-13)7-14/h2-3,5,9,14H,4,6-7,13H2,1H3
InChIKeyPOCMWVSYAUISJN-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.24
Rot. Bonds4

About 2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol

2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol (PubChem CID 105375163) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol
PubChem CID105375163
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol
SMILESCc1ccc(F)cc1CC(CN)CO
InChIInChI=1S/C11H16FNO/c1-8-2-3-11(12)5-10(8)4-9(6-13)7-14/h2-3,5,9,14H,4,6-7,13H2,1H3
InChIKeyPOCMWVSYAUISJN-UHFFFAOYSA-N
XLogP1.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
2-(aminomethyl)-3-(2-chloro-4,5-dimethylphenyl)propan-1-ol
CID 83931466
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060375
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol
CID 114349814
2-bromo-3-(5-fluoro-2-methylphenyl)propanamide
CID 104512974
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 105375972
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
CID 105375007
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol (CID 105375163) is 2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol is Cc1ccc(F)cc1CC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol?
The InChIKey is POCMWVSYAUISJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-2-3-11(12)5-10(8)4-9(6-13)7-14/h2-3,5,9,14H,4,6-7,13H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol?
2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 105375163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).