1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol

C11H16FNO2 — CID 83909820

IUPAC1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol
SMILESCOc1cc(C(C)C(O)CN)ccc1F
InChIInChI=1S/C11H16FNO2/c1-7(10(14)6-13)8-3-4-9(12)11(5-8)15-2/h3-5,7,10,14H,6,13H2,1-2H3
InChIKeyHYHAETIBSCDZJT-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.26
Rot. Bonds4

About 1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol

1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol (PubChem CID 83909820) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol
PubChem CID83909820
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol
SMILESCOc1cc(C(C)C(O)CN)ccc1F
InChIInChI=1S/C11H16FNO2/c1-7(10(14)6-13)8-3-4-9(12)11(5-8)15-2/h3-5,7,10,14H,6,13H2,1-2H3
InChIKeyHYHAETIBSCDZJT-UHFFFAOYSA-N
XLogP1.26
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol
CID 171159915
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 164892453
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine
CID 107894085
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
4-(diethoxymethyl)-1-fluoro-2-methoxybenzene
CID 146004738
(1R)-1-(4-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171205855
1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol
CID 82397890
1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817518

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol?
The IUPAC name of 1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol (CID 83909820) is 1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol?
The canonical SMILES for 1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol is COc1cc(C(C)C(O)CN)ccc1F.
What is the InChIKey of 1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol?
The InChIKey is HYHAETIBSCDZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-7(10(14)6-13)8-3-4-9(12)11(5-8)15-2/h3-5,7,10,14H,6,13H2,1-2H3.
What are the key properties of 1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol?
1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol has a molecular weight of 213.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 83909820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).