3-amino-4-methoxy-1-phenylbutan-1-ol

C11H17NO2 — CID 112704167

IUPAC3-amino-4-methoxy-1-phenylbutan-1-ol
SMILESCOCC(N)CC(O)c1ccccc1
InChIInChI=1S/C11H17NO2/c1-14-8-10(12)7-11(13)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8,12H2,1H3
InChIKeyIXYHBUHYYOIDHH-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.08
Rot. Bonds5

About 3-amino-4-methoxy-1-phenylbutan-1-ol

3-amino-4-methoxy-1-phenylbutan-1-ol (PubChem CID 112704167) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-amino-4-methoxy-1-phenylbutan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-1-phenylbutan-1-ol
PubChem CID112704167
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-amino-4-methoxy-1-phenylbutan-1-ol
SMILESCOCC(N)CC(O)c1ccccc1
InChIInChI=1S/C11H17NO2/c1-14-8-10(12)7-11(13)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8,12H2,1H3
InChIKeyIXYHBUHYYOIDHH-UHFFFAOYSA-N
XLogP1.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;2-methoxy-1-phenylethanol
CID 174622919
3-amino-4-methoxy-1-(4-methylsulfonylphenyl)butan-1-ol
CID 112629926
3-amino-1-(3,4-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 112629915
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
3-amino-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxybutan-1-ol
CID 112629895
4-hydroxy-2-methoxycarbonyl-4-phenylbutanoic acid
CID 103973363
3-amino-1-(4-chlorophenyl)-5-methoxypentan-1-ol
CID 103967403
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
(1R)-1-amino-3-methoxy-1-phenylpropan-2-one
CID 104891033
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-1-phenylbutan-1-ol?
The IUPAC name of 3-amino-4-methoxy-1-phenylbutan-1-ol (CID 112704167) is 3-amino-4-methoxy-1-phenylbutan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-1-phenylbutan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-1-phenylbutan-1-ol is COCC(N)CC(O)c1ccccc1.
What is the InChIKey of 3-amino-4-methoxy-1-phenylbutan-1-ol?
The InChIKey is IXYHBUHYYOIDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-8-10(12)7-11(13)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8,12H2,1H3.
What are the key properties of 3-amino-4-methoxy-1-phenylbutan-1-ol?
3-amino-4-methoxy-1-phenylbutan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-1-phenylbutan-1-ol is sourced from PubChem (CID 112704167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).