1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol

C16H27NO3 — CID 82315282

IUPAC1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C(C)C)C(O)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-6-9-17-15(11(2)3)16(18)13-8-7-12(19-4)10-14(13)20-5/h7-8,10-11,15-18H,6,9H2,1-5H3
InChIKeyAOPZYYOHOKZTBQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds8

About 1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol

1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol (PubChem CID 82315282) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
PubChem CID82315282
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C(C)C)C(O)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-6-9-17-15(11(2)3)16(18)13-8-7-12(19-4)10-14(13)20-5/h7-8,10-11,15-18H,6,9H2,1-5H3
InChIKeyAOPZYYOHOKZTBQ-UHFFFAOYSA-N
XLogP2.76
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol
CID 82000949
1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315275
1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82314062
1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747
1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine
CID 105006124
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol (CID 82315282) is 1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol is CCCNC(C(C)C)C(O)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol?
The InChIKey is AOPZYYOHOKZTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-9-17-15(11(2)3)16(18)13-8-7-12(19-4)10-14(13)20-5/h7-8,10-11,15-18H,6,9H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol?
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 82315282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).