ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol

C14H24N2O — CID 142338004

IUPACethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol
SMILESCC.[H]/N=C(\CO)c1ccc(C)cc1NC(C)C
InChIInChI=1S/C12H18N2O.C2H6/c1-8(2)14-12-6-9(3)4-5-10(12)11(13)7-15;1-2/h4-6,8,13-15H,7H2,1-3H3;1-2H3/b13-11+;
InChIKeyIGYXIKDFYNCGDW-BNSHTTSQSA-N
MW236.36 g/mol
LogP3.20
Rot. Bonds4

About ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol

ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol (PubChem CID 142338004) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol.

Molecular Properties

Compound Nameethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol
PubChem CID142338004
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Nameethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol
SMILESCC.[H]/N=C(\CO)c1ccc(C)cc1NC(C)C
InChIInChI=1S/C12H18N2O.C2H6/c1-8(2)14-12-6-9(3)4-5-10(12)11(13)7-15;1-2/h4-6,8,13-15H,7H2,1-3H3;1-2H3/b13-11+;
InChIKeyIGYXIKDFYNCGDW-BNSHTTSQSA-N
XLogP3.20
TPSA56.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol?
The IUPAC name of ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol (CID 142338004) is ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol.
What is the SMILES notation for ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol?
The canonical SMILES for ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol is CC.[H]/N=C(\CO)c1ccc(C)cc1NC(C)C.
What is the InChIKey of ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol?
The InChIKey is IGYXIKDFYNCGDW-BNSHTTSQSA-N. The full InChI is InChI=1S/C12H18N2O.C2H6/c1-8(2)14-12-6-9(3)4-5-10(12)11(13)7-15;1-2/h4-6,8,13-15H,7H2,1-3H3;1-2H3/b13-11+;.
What are the key properties of ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol?
ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol has a molecular weight of 236.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-imino-2-[4-methyl-2-(propan-2-ylamino)phenyl]ethanol is sourced from PubChem (CID 142338004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).