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

C11H17NO2 — CID 82076051

IUPAC1-amino-3-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(C(C)C(O)CN)cc1
InChIInChI=1S/C11H17NO2/c1-8(11(13)7-12)9-3-5-10(14-2)6-4-9/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyMNYYTHLIQMHJCK-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.12
Rot. Bonds4

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

1-amino-3-(4-methoxyphenyl)butan-2-ol (PubChem CID 82076051) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-amino-3-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-methoxyphenyl)butan-2-ol
PubChem CID82076051
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-amino-3-(4-methoxyphenyl)butan-2-ol
SMILESCOc1ccc(C(C)C(O)CN)cc1
InChIInChI=1S/C11H17NO2/c1-8(11(13)7-12)9-3-5-10(14-2)6-4-9/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyMNYYTHLIQMHJCK-UHFFFAOYSA-N
XLogP1.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
CID 116942613
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
CID 65185548
1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol
CID 83909820
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of 1-amino-3-(4-methoxyphenyl)butan-2-ol (CID 82076051) is 1-amino-3-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-3-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 1-amino-3-(4-methoxyphenyl)butan-2-ol is COc1ccc(C(C)C(O)CN)cc1.
What is the InChIKey of 1-amino-3-(4-methoxyphenyl)butan-2-ol?
The InChIKey is MNYYTHLIQMHJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(11(13)7-12)9-3-5-10(14-2)6-4-9/h3-6,8,11,13H,7,12H2,1-2H3.
What are the key properties of 1-amino-3-(4-methoxyphenyl)butan-2-ol?
1-amino-3-(4-methoxyphenyl)butan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.12, 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-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 82076051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).