ethane;2-(N-ethyl-3-methylanilino)ethanol

C13H23NO — CID 142945476

IUPACethane;2-(N-ethyl-3-methylanilino)ethanol
SMILESCC.CCN(CCO)c1cccc(C)c1
InChIInChI=1S/C11H17NO.C2H6/c1-3-12(7-8-13)11-6-4-5-10(2)9-11;1-2/h4-6,9,13H,3,7-8H2,1-2H3;1-2H3
InChIKeyPEBIOZMOEXBALQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.84
Rot. Bonds4

About ethane;2-(N-ethyl-3-methylanilino)ethanol

ethane;2-(N-ethyl-3-methylanilino)ethanol (PubChem CID 142945476) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;2-(N-ethyl-3-methylanilino)ethanol.

Molecular Properties

Compound Nameethane;2-(N-ethyl-3-methylanilino)ethanol
PubChem CID142945476
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;2-(N-ethyl-3-methylanilino)ethanol
SMILESCC.CCN(CCO)c1cccc(C)c1
InChIInChI=1S/C11H17NO.C2H6/c1-3-12(7-8-13)11-6-4-5-10(2)9-11;1-2/h4-6,9,13H,3,7-8H2,1-2H3;1-2H3
InChIKeyPEBIOZMOEXBALQ-UHFFFAOYSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 143917087
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
2-[3-methyl-N-(2-methylpropyl)anilino]ethanol
CID 91509745
2-[N-[2-(2-hydroxyethoxy)ethyl]-3-methylanilino]ethanol
CID 54440196
3-(N-ethyl-3-methylanilino)propanethioamide
CID 39160770
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
dimethyl(phenyl)phosphane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 118588489
3-[ethyl(2-hydroxyethyl)amino]benzaldehyde
CID 84758573
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284

Frequently Asked Questions

What is the IUPAC name of ethane;2-(N-ethyl-3-methylanilino)ethanol?
The IUPAC name of ethane;2-(N-ethyl-3-methylanilino)ethanol (CID 142945476) is ethane;2-(N-ethyl-3-methylanilino)ethanol.
What is the SMILES notation for ethane;2-(N-ethyl-3-methylanilino)ethanol?
The canonical SMILES for ethane;2-(N-ethyl-3-methylanilino)ethanol is CC.CCN(CCO)c1cccc(C)c1.
What is the InChIKey of ethane;2-(N-ethyl-3-methylanilino)ethanol?
The InChIKey is PEBIOZMOEXBALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-3-12(7-8-13)11-6-4-5-10(2)9-11;1-2/h4-6,9,13H,3,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(N-ethyl-3-methylanilino)ethanol?
ethane;2-(N-ethyl-3-methylanilino)ethanol has a molecular weight of 209.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(N-ethyl-3-methylanilino)ethanol is sourced from PubChem (CID 142945476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).