ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol

C18H37NO3 — CID 142222447

IUPACethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
SMILESCC.CC.CC.CCN(CCO)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO3.3C2H6/c1-4-13(7-8-14)10-5-6-11(15-2)12(9-10)16-3;3*1-2/h5-6,9,14H,4,7-8H2,1-3H3;3*1-2H3
InChIKeyVAKUXCXGBOWFMW-UHFFFAOYSA-N
MW315.50 g/mol
LogP4.60
Rot. Bonds6

About ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol

ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol (PubChem CID 142222447) has the molecular formula C18H37NO3 and a molecular weight of 315.50 g/mol. Its IUPAC name is ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol.

Molecular Properties

Compound Nameethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
PubChem CID142222447
Molecular FormulaC18H37NO3
Molecular Weight315.50 g/mol
Exact Mass315.28
IUPAC Nameethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
SMILESCC.CC.CC.CCN(CCO)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO3.3C2H6/c1-4-13(7-8-14)10-5-6-11(15-2)12(9-10)16-3;3*1-2/h5-6,9,14H,4,7-8H2,1-3H3;3*1-2H3
InChIKeyVAKUXCXGBOWFMW-UHFFFAOYSA-N
XLogP4.60
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol
CID 175433154
2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
CID 63670341
3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea
CID 91733734
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991287
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991178
ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol
CID 144692969
N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine
CID 88903555
4-(3-chloro-N-ethyl-4-methoxyanilino)butanoic acid
CID 100521803
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-4-phenylaniline
CID 91153453

Frequently Asked Questions

What is the IUPAC name of ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol?
The IUPAC name of ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol (CID 142222447) is ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol.
What is the SMILES notation for ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol?
The canonical SMILES for ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol is CC.CC.CC.CCN(CCO)c1ccc(OC)c(OC)c1.
What is the InChIKey of ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol?
The InChIKey is VAKUXCXGBOWFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3.3C2H6/c1-4-13(7-8-14)10-5-6-11(15-2)12(9-10)16-3;3*1-2/h5-6,9,14H,4,7-8H2,1-3H3;3*1-2H3.
What are the key properties of ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol?
ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol has a molecular weight of 315.50 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol is sourced from PubChem (CID 142222447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).