1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol

C16H27NO2 — CID 82313799

IUPAC1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
SMILESCOc1ccc(C(O)C(C)NCCC(C)C)cc1C
InChIInChI=1S/C16H27NO2/c1-11(2)8-9-17-13(4)16(18)14-6-7-15(19-5)12(3)10-14/h6-7,10-11,13,16-18H,8-9H2,1-5H3
InChIKeyYCQXFASEFDOUQX-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.06
Rot. Bonds7

About 1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol

1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol (PubChem CID 82313799) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
PubChem CID82313799
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
SMILESCOc1ccc(C(O)C(C)NCCC(C)C)cc1C
InChIInChI=1S/C16H27NO2/c1-11(2)8-9-17-13(4)16(18)14-6-7-15(19-5)12(3)10-14/h6-7,10-11,13,16-18H,8-9H2,1-5H3
InChIKeyYCQXFASEFDOUQX-UHFFFAOYSA-N
XLogP3.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313794
2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol
CID 82313839
2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313778
1-(3,4-dimethoxyphenyl)-2-(2-fluoroethylamino)propan-1-ol
CID 155431279
4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-2-methylphenol
CID 110184275
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312515
1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82313813
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919
2-(ethylamino)-1-(3-ethyl-4-methoxyphenyl)propan-1-ol
CID 112512326
1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82315196
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol (CID 82313799) is 1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol is COc1ccc(C(O)C(C)NCCC(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol?
The InChIKey is YCQXFASEFDOUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)8-9-17-13(4)16(18)14-6-7-15(19-5)12(3)10-14/h6-7,10-11,13,16-18H,8-9H2,1-5H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol?
1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol is sourced from PubChem (CID 82313799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).