1-(N-ethyl-2-methylanilino)pentan-2-ol

C14H23NO — CID 62041707

IUPAC1-(N-ethyl-2-methylanilino)pentan-2-ol
SMILESCCCC(O)CN(CC)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-4-8-13(16)11-15(5-2)14-10-7-6-9-12(14)3/h6-7,9-10,13,16H,4-5,8,11H2,1-3H3
InChIKeyRGLIXZQVXZBXCN-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.98
Rot. Bonds6

About 1-(N-ethyl-2-methylanilino)pentan-2-ol

1-(N-ethyl-2-methylanilino)pentan-2-ol (PubChem CID 62041707) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(N-ethyl-2-methylanilino)pentan-2-ol.

Molecular Properties

Compound Name1-(N-ethyl-2-methylanilino)pentan-2-ol
PubChem CID62041707
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(N-ethyl-2-methylanilino)pentan-2-ol
SMILESCCCC(O)CN(CC)c1ccccc1C
InChIInChI=1S/C14H23NO/c1-4-8-13(16)11-15(5-2)14-10-7-6-9-12(14)3/h6-7,9-10,13,16H,4-5,8,11H2,1-3H3
InChIKeyRGLIXZQVXZBXCN-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol
CID 174382488
4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid
CID 82777293
1-(3,4-dimethylphenyl)-2-(N-ethyl-2-methylanilino)ethanol
CID 63473038
4-(N-ethyl-2-methylanilino)-3-(propylamino)butan-1-ol
CID 64897313
1-(N-ethyl-3-fluoroanilino)pentan-2-ol
CID 62044327
CID 173160114
CID 173160114
2-[(N-ethyl-2-methylanilino)methyl]-3,3,3-trifluoropropanethioamide
CID 103368485
4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol
CID 64790184
3-(N-ethyl-2-fluoroanilino)propane-1,2-diol
CID 82849393
N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 113279380
N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
CID 43098055
N-ethyl-2-methyl-N-(2-methylphenyl)pentanamide
CID 2890658

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-2-methylanilino)pentan-2-ol?
The IUPAC name of 1-(N-ethyl-2-methylanilino)pentan-2-ol (CID 62041707) is 1-(N-ethyl-2-methylanilino)pentan-2-ol.
What is the SMILES notation for 1-(N-ethyl-2-methylanilino)pentan-2-ol?
The canonical SMILES for 1-(N-ethyl-2-methylanilino)pentan-2-ol is CCCC(O)CN(CC)c1ccccc1C.
What is the InChIKey of 1-(N-ethyl-2-methylanilino)pentan-2-ol?
The InChIKey is RGLIXZQVXZBXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-8-13(16)11-15(5-2)14-10-7-6-9-12(14)3/h6-7,9-10,13,16H,4-5,8,11H2,1-3H3.
What are the key properties of 1-(N-ethyl-2-methylanilino)pentan-2-ol?
1-(N-ethyl-2-methylanilino)pentan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-2-methylanilino)pentan-2-ol is sourced from PubChem (CID 62041707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).