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

C15H25NO2 — CID 113357124

IUPAC3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCOc1cccc(CNC(CCO)C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-15(2,3)14(8-9-17)16-11-12-6-5-7-13(10-12)18-4/h5-7,10,14,16-17H,8-9,11H2,1-4H3
InChIKeyVUOQBDWWTMWUDC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.58
Rot. Bonds6

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

3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 113357124) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID113357124
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCOc1cccc(CNC(CCO)C(C)(C)C)c1
InChIInChI=1S/C15H25NO2/c1-15(2,3)14(8-9-17)16-11-12-6-5-7-13(10-12)18-4/h5-7,10,14,16-17H,8-9,11H2,1-4H3
InChIKeyVUOQBDWWTMWUDC-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949846
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628168
3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 104666985
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
3-(isoquinolin-6-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106349273
(3-methoxyphenyl)(113C)methanol
CID 11593446
(2S)-2-[(3-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid
CID 167496540
methyl 2-[(3-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690958
1-N-tert-butyl-2-N-[(3-methoxyphenyl)methyl]propane-1,2-diamine
CID 113407506
3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949872

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol (CID 113357124) is 3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol is COc1cccc(CNC(CCO)C(C)(C)C)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is VUOQBDWWTMWUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)14(8-9-17)16-11-12-6-5-7-13(10-12)18-4/h5-7,10,14,16-17H,8-9,11H2,1-4H3.
What are the key properties of 3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 113357124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).