1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol

C17H21NO3 — CID 116696064

IUPAC1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
SMILESCOc1ccccc1OCCC(O)(CN)c1ccccc1
InChIInChI=1S/C17H21NO3/c1-20-15-9-5-6-10-16(15)21-12-11-17(19,13-18)14-7-3-2-4-8-14/h2-10,19H,11-13,18H2,1H3
InChIKeyITZSDODSLFPRON-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds7

About 1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol

1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol (PubChem CID 116696064) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
PubChem CID116696064
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
SMILESCOc1ccccc1OCCC(O)(CN)c1ccccc1
InChIInChI=1S/C17H21NO3/c1-20-15-9-5-6-10-16(15)21-12-11-17(19,13-18)14-7-3-2-4-8-14/h2-10,19H,11-13,18H2,1H3
InChIKeyITZSDODSLFPRON-UHFFFAOYSA-N
XLogP2.31
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyphenoxy)-2-methyl-2-phenylbutan-1-amine
CID 82138274
1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
CID 57223105
2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol
CID 106506434
3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol
CID 69398907
2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
CID 116809834
1-[3-(bromomethyl)-3-ethylpentoxy]-2-methoxybenzene
CID 66050017
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol
CID 116696162
1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 64814427
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
1-amino-2-(2-methoxyphenoxy)propan-2-ol
CID 21327365
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol?
The IUPAC name of 1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol (CID 116696064) is 1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol?
The canonical SMILES for 1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol is COc1ccccc1OCCC(O)(CN)c1ccccc1.
What is the InChIKey of 1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol?
The InChIKey is ITZSDODSLFPRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-15-9-5-6-10-16(15)21-12-11-17(19,13-18)14-7-3-2-4-8-14/h2-10,19H,11-13,18H2,1H3.
What are the key properties of 1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol?
1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol is sourced from PubChem (CID 116696064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).