ethane;2-(4-methoxy-3-methylanilino)ethanol

C12H21NO2 — CID 142353980

IUPACethane;2-(4-methoxy-3-methylanilino)ethanol
SMILESCC.COc1ccc(NCCO)cc1C
InChIInChI=1S/C10H15NO2.C2H6/c1-8-7-9(11-5-6-12)3-4-10(8)13-2;1-2/h3-4,7,11-12H,5-6H2,1-2H3;1-2H3
InChIKeyQIOPGNUHDUHULM-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.43
Rot. Bonds4

About ethane;2-(4-methoxy-3-methylanilino)ethanol

ethane;2-(4-methoxy-3-methylanilino)ethanol (PubChem CID 142353980) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethane;2-(4-methoxy-3-methylanilino)ethanol.

Molecular Properties

Compound Nameethane;2-(4-methoxy-3-methylanilino)ethanol
PubChem CID142353980
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethane;2-(4-methoxy-3-methylanilino)ethanol
SMILESCC.COc1ccc(NCCO)cc1C
InChIInChI=1S/C10H15NO2.C2H6/c1-8-7-9(11-5-6-12)3-4-10(8)13-2;1-2/h3-4,7,11-12H,5-6H2,1-2H3;1-2H3
InChIKeyQIOPGNUHDUHULM-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
CID 154637919
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
N'-(4-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
CID 115202913
4-methoxy-3-methyl-N-prop-2-enylaniline
CID 62140319
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine
CID 159575611
N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide
CID 62625952
4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863
N'-hydroxy-2-(4-methoxy-3-methylanilino)ethanimidamide
CID 77030951
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
N-[(E)-3-chloro-2-methylprop-2-enyl]-4-methoxy-3-methylaniline
CID 106437613

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methoxy-3-methylanilino)ethanol?
The IUPAC name of ethane;2-(4-methoxy-3-methylanilino)ethanol (CID 142353980) is ethane;2-(4-methoxy-3-methylanilino)ethanol.
What is the SMILES notation for ethane;2-(4-methoxy-3-methylanilino)ethanol?
The canonical SMILES for ethane;2-(4-methoxy-3-methylanilino)ethanol is CC.COc1ccc(NCCO)cc1C.
What is the InChIKey of ethane;2-(4-methoxy-3-methylanilino)ethanol?
The InChIKey is QIOPGNUHDUHULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C2H6/c1-8-7-9(11-5-6-12)3-4-10(8)13-2;1-2/h3-4,7,11-12H,5-6H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(4-methoxy-3-methylanilino)ethanol?
ethane;2-(4-methoxy-3-methylanilino)ethanol has a molecular weight of 211.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methoxy-3-methylanilino)ethanol is sourced from PubChem (CID 142353980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).