3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol

C15H25NO2 — CID 115133960

IUPAC3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
SMILESCCc1ccc(OC)c(N(C)C(C)(C)CCO)c1
InChIInChI=1S/C15H25NO2/c1-6-12-7-8-14(18-5)13(11-12)16(4)15(2,3)9-10-17/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyADBVCIKXFBYGIW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds6

About 3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol

3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol (PubChem CID 115133960) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
PubChem CID115133960
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
SMILESCCc1ccc(OC)c(N(C)C(C)(C)CCO)c1
InChIInChI=1S/C15H25NO2/c1-6-12-7-8-14(18-5)13(11-12)16(4)15(2,3)9-10-17/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyADBVCIKXFBYGIW-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127869
3,3-dimethylbutan-1-ol;ethane;4-ethyl-1,2-dimethoxybenzene
CID 143005011
2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
CID 115133221
N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline
CID 115261714
3-(5-ethyl-2-methoxyphenyl)-3,3-difluoropropan-1-ol
CID 116841028
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134121
3-(3-bromo-4-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133943
N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 115226672
4-(5-ethyl-2-methoxyphenyl)pentane-1,4-diol
CID 116861564
[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243357
3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid
CID 115241577
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134117

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol?
The IUPAC name of 3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol (CID 115133960) is 3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol?
The canonical SMILES for 3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol is CCc1ccc(OC)c(N(C)C(C)(C)CCO)c1.
What is the InChIKey of 3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol?
The InChIKey is ADBVCIKXFBYGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-12-7-8-14(18-5)13(11-12)16(4)15(2,3)9-10-17/h7-8,11,17H,6,9-10H2,1-5H3.
What are the key properties of 3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol?
3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol is sourced from PubChem (CID 115133960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).