2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol

C14H23NO3 — CID 81412194

IUPAC2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-14(2,10-16)9-15-11-6-12(17-3)8-13(7-11)18-4/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyMVGDMCZQVGYTLV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.52
Rot. Bonds7

About 2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol

2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol (PubChem CID 81412194) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol
PubChem CID81412194
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-14(2,10-16)9-15-11-6-12(17-3)8-13(7-11)18-4/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyMVGDMCZQVGYTLV-UHFFFAOYSA-N
XLogP2.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol
CID 81412901
1-(3,5-dimethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652823
2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol
CID 81411085
2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81412732
3-(ethylamino)-5-methoxyphenol
CID 142928379
2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 64549744
1-(3-methoxy-5-nitroanilino)-2-methylbutan-2-ol
CID 80724443
4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
CID 81412295
3,5-dimethoxy-N-pentylaniline
CID 28575532
2-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]butan-1-ol
CID 107643682
N-(2-ethoxyethyl)-3,5-dimethoxyaniline
CID 43387851
N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 104936417

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol (CID 81412194) is 2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol?
The InChIKey is MVGDMCZQVGYTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-14(2,10-16)9-15-11-6-12(17-3)8-13(7-11)18-4/h6-8,15-16H,5,9-10H2,1-4H3.
What are the key properties of 2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol?
2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81412194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).