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

C15H25NO3 — CID 115250884

IUPAC2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-12(11-17)9-16(2)10-13-6-7-14(18-3)15(8-13)19-4/h6-8,12,17H,5,9-11H2,1-4H3
InChIKeyUMDWZMIWUKUMFL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.15
Rot. Bonds8

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

2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol (PubChem CID 115250884) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol
PubChem CID115250884
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-12(11-17)9-16(2)10-13-6-7-14(18-3)15(8-13)19-4/h6-8,12,17H,5,9-11H2,1-4H3
InChIKeyUMDWZMIWUKUMFL-UHFFFAOYSA-N
XLogP2.15
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250906
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropan-1-amine
CID 80667582
2-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251569
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910782
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanethioamide
CID 54991879
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol
CID 115250940
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250873
2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
CID 115250618
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 81070299
2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]butan-1-ol
CID 115250928

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol?
The IUPAC name of 2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol (CID 115250884) is 2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol is CCC(CO)CN(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol?
The InChIKey is UMDWZMIWUKUMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-12(11-17)9-16(2)10-13-6-7-14(18-3)15(8-13)19-4/h6-8,12,17H,5,9-11H2,1-4H3.
What are the key properties of 2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol?
2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol is sourced from PubChem (CID 115250884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).