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

C15H25NO3 — CID 64912152

IUPAC4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
SMILESCCC(NCCC(C)O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-13(16-9-8-11(2)17)12-6-7-14(18-3)15(10-12)19-4/h6-7,10-11,13,16-17H,5,8-9H2,1-4H3
InChIKeyVOADSHPFYOPPFL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.52
Rot. Bonds8

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

4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol (PubChem CID 64912152) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
PubChem CID64912152
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
SMILESCCC(NCCC(C)O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-13(16-9-8-11(2)17)12-6-7-14(18-3)15(10-12)19-4/h6-7,10-11,13,16-17H,5,8-9H2,1-4H3
InChIKeyVOADSHPFYOPPFL-UHFFFAOYSA-N
XLogP2.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636259
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634495
3-[1-(3,4-dimethoxyphenyl)propylamino]propanenitrile
CID 43207726
2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
CID 57000376
1-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 103778096
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
CID 43200540

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol?
The IUPAC name of 4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol (CID 64912152) is 4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol.
What is the SMILES notation for 4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol?
The canonical SMILES for 4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol is CCC(NCCC(C)O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol?
The InChIKey is VOADSHPFYOPPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-13(16-9-8-11(2)17)12-6-7-14(18-3)15(10-12)19-4/h6-7,10-11,13,16-17H,5,8-9H2,1-4H3.
What are the key properties of 4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol?
4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol is sourced from PubChem (CID 64912152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).