1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol

C18H32N2O — CID 79379221

IUPAC1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(CNCC(C)C)cc1C
InChIInChI=1S/C18H32N2O/c1-7-20(13-18(5,6)21)17-9-8-16(10-15(17)4)12-19-11-14(2)3/h8-10,14,19,21H,7,11-13H2,1-6H3
InChIKeyIJKAYPAPBRCROZ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.34
Rot. Bonds8

About 1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol

1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol (PubChem CID 79379221) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol
PubChem CID79379221
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(CNCC(C)C)cc1C
InChIInChI=1S/C18H32N2O/c1-7-20(13-18(5,6)21)17-9-8-16(10-15(17)4)12-19-11-14(2)3/h8-10,14,19,21H,7,11-13H2,1-6H3
InChIKeyIJKAYPAPBRCROZ-UHFFFAOYSA-N
XLogP3.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol (CID 79379221) is 1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccc(CNCC(C)C)cc1C.
What is the InChIKey of 1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol?
The InChIKey is IJKAYPAPBRCROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-20(13-18(5,6)21)17-9-8-16(10-15(17)4)12-19-11-14(2)3/h8-10,14,19,21H,7,11-13H2,1-6H3.
What are the key properties of 1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol?
1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol has a molecular weight of 292.47 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79379221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).