1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol

C14H25N3O2 — CID 106141886

IUPAC1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCCOc1cc(NCC(C)(O)CN(C)C)ccc1N
InChIInChI=1S/C14H25N3O2/c1-5-19-13-8-11(6-7-12(13)15)16-9-14(2,18)10-17(3)4/h6-8,16,18H,5,9-10,15H2,1-4H3
InChIKeyDZORSIOLAOWTQJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.39
Rot. Bonds7

About 1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol

1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106141886) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106141886
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCCOc1cc(NCC(C)(O)CN(C)C)ccc1N
InChIInChI=1S/C14H25N3O2/c1-5-19-13-8-11(6-7-12(13)15)16-9-14(2,18)10-17(3)4/h6-8,16,18H,5,9-10,15H2,1-4H3
InChIKeyDZORSIOLAOWTQJ-UHFFFAOYSA-N
XLogP1.39
TPSA70.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
2-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzonitrile
CID 114149087
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
CID 114152908
3-(4-amino-3-propan-2-yloxyanilino)-2-methylpropane-1,2-diol
CID 83002120
1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol
CID 106145654
1-(dimethylamino)-3-[(2-hydrazinyl-4-pyridinyl)amino]-2-methylpropan-2-ol
CID 106150346
1-(4-amino-3-ethoxyanilino)pentan-2-ol
CID 113495527
2-(4-amino-3-ethoxyanilino)-2-ethylpropane-1,3-diol
CID 107864632
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol (CID 106141886) is 1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol is CCOc1cc(NCC(C)(O)CN(C)C)ccc1N.
What is the InChIKey of 1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is DZORSIOLAOWTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-19-13-8-11(6-7-12(13)15)16-9-14(2,18)10-17(3)4/h6-8,16,18H,5,9-10,15H2,1-4H3.
What are the key properties of 1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol?
1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106141886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).