5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol

C15H25NO2 — CID 103897679

IUPAC5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCOc1cccc(CNCC(C)(C)CCCO)c1
InChIInChI=1S/C15H25NO2/c1-15(2,8-5-9-17)12-16-11-13-6-4-7-14(10-13)18-3/h4,6-7,10,16-17H,5,8-9,11-12H2,1-3H3
InChIKeyGCSAFLKBZMYNOH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.58
Rot. Bonds8

About 5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol

5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103897679) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID103897679
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCOc1cccc(CNCC(C)(C)CCCO)c1
InChIInChI=1S/C15H25NO2/c1-15(2,8-5-9-17)12-16-11-13-6-4-7-14(10-13)18-3/h4,6-7,10,16-17H,5,8-9,11-12H2,1-3H3
InChIKeyGCSAFLKBZMYNOH-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 104625005
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897564
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619
5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 106147039
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106147288
5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897750
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 103772274
5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897720
5-[(3-fluoro-4-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897533
5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897822

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol (CID 103897679) is 5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol is COc1cccc(CNCC(C)(C)CCCO)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is GCSAFLKBZMYNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,8-5-9-17)12-16-11-13-6-4-7-14(10-13)18-3/h4,6-7,10,16-17H,5,8-9,11-12H2,1-3H3.
What are the key properties of 5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103897679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).