1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol

C15H25NO3 — CID 103876248

IUPAC1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol
SMILESCOCC(O)CCNCc1cccc(OC(C)C)c1
InChIInChI=1S/C15H25NO3/c1-12(2)19-15-6-4-5-13(9-15)10-16-8-7-14(17)11-18-3/h4-6,9,12,14,16-17H,7-8,10-11H2,1-3H3
InChIKeyKOLTZOHCLKBOGR-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.96
Rot. Bonds9

About 1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol

1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol (PubChem CID 103876248) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol
PubChem CID103876248
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol
SMILESCOCC(O)CCNCc1cccc(OC(C)C)c1
InChIInChI=1S/C15H25NO3/c1-12(2)19-15-6-4-5-13(9-15)10-16-8-7-14(17)11-18-3/h4-6,9,12,14,16-17H,7-8,10-11H2,1-3H3
InChIKeyKOLTZOHCLKBOGR-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methylsulfanyl-N-[(3-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 115604278
N'-(2-methoxyethyl)-N'-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62845370
2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 86854917
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62634740
1-methoxy-3-[3-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 63928987
N-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)methanamine
CID 82714769
4-[[(3-hydroxy-4-methoxybutyl)amino]methyl]-2-methoxyphenol
CID 103953827
4-[(3-bromo-4-fluorophenyl)methylamino]-1-methoxybutan-2-ol
CID 103876406
3-chloro-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 65024523
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol
CID 103876190

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol (CID 103876248) is 1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol is COCC(O)CCNCc1cccc(OC(C)C)c1.
What is the InChIKey of 1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol?
The InChIKey is KOLTZOHCLKBOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2)19-15-6-4-5-13(9-15)10-16-8-7-14(17)11-18-3/h4-6,9,12,14,16-17H,7-8,10-11H2,1-3H3.
What are the key properties of 1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol?
1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol is sourced from PubChem (CID 103876248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).