1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol

C15H25NO2 — CID 65189945

IUPAC1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol
SMILESCOCCC(O)C(CN)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(2)12-4-6-13(7-5-12)14(10-16)15(17)8-9-18-3/h4-7,11,14-15,17H,8-10,16H2,1-3H3
InChIKeyQTAHGRVJYCWQNB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.25
Rot. Bonds7

About 1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol

1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol (PubChem CID 65189945) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol.

Molecular Properties

Compound Name1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol
PubChem CID65189945
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol
SMILESCOCCC(O)C(CN)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(2)12-4-6-13(7-5-12)14(10-16)15(17)8-9-18-3/h4-7,11,14-15,17H,8-10,16H2,1-3H3
InChIKeyQTAHGRVJYCWQNB-UHFFFAOYSA-N
XLogP2.25
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(3-chlorophenyl)-5-methoxypentan-3-ol
CID 65186234
1-amino-2-(4-propan-2-ylphenyl)decan-3-ol
CID 65189275
3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
CID 62607398
1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol
CID 65189462
1-amino-2-(3,4-dimethylphenyl)-5-ethoxypentan-3-ol
CID 65189536
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 62542209
3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116567406
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 65189562
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine
CID 82140241
1-amino-2-(4-methylphenyl)pentan-3-ol
CID 65187998

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol?
The IUPAC name of 1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol (CID 65189945) is 1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol.
What is the SMILES notation for 1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol?
The canonical SMILES for 1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol is COCCC(O)C(CN)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol?
The InChIKey is QTAHGRVJYCWQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)12-4-6-13(7-5-12)14(10-16)15(17)8-9-18-3/h4-7,11,14-15,17H,8-10,16H2,1-3H3.
What are the key properties of 1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol?
1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol has a molecular weight of 251.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-methoxy-2-(4-propan-2-ylphenyl)pentan-3-ol is sourced from PubChem (CID 65189945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).