2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol

C11H16FNO — CID 65188119

IUPAC2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol
SMILESCCC(CN)C(O)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-2-8(7-13)11(14)9-5-3-4-6-10(9)12/h3-6,8,11,14H,2,7,13H2,1H3
InChIKeyBKGIJMSRJDBYHP-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.84
Rot. Bonds4

About 2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol

2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol (PubChem CID 65188119) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol
PubChem CID65188119
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol
SMILESCCC(CN)C(O)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-2-8(7-13)11(14)9-5-3-4-6-10(9)12/h3-6,8,11,14H,2,7,13H2,1H3
InChIKeyBKGIJMSRJDBYHP-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(2,4-difluorophenyl)butan-1-ol
CID 65187853
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
CID 171160706
(1R,2S)-1-(2-fluorophenyl)-2-nitrobutan-1-ol
CID 134882071
1-(2-fluorophenyl)propan-1-amine
CID 18439474
2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol
CID 81460938
5-amino-4-(2-fluorophenyl)pentan-2-ol
CID 81422471
3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79206013
2-(aminomethyl)-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 82891206
3-ethyl-1-(2-fluorophenyl)pentan-1-ol
CID 82919842

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol (CID 65188119) is 2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol is CCC(CN)C(O)c1ccccc1F.
What is the InChIKey of 2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol?
The InChIKey is BKGIJMSRJDBYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-2-8(7-13)11(14)9-5-3-4-6-10(9)12/h3-6,8,11,14H,2,7,13H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol?
2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol is sourced from PubChem (CID 65188119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).