2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol

C13H22N2O2 — CID 113475430

IUPAC2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol
SMILESCCOc1cc(N(C)C(C)(C)CO)ccc1N
InChIInChI=1S/C13H22N2O2/c1-5-17-12-8-10(6-7-11(12)14)15(4)13(2,3)9-16/h6-8,16H,5,9,14H2,1-4H3
InChIKeyYCMOZJIWZDXBDX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.87
Rot. Bonds5

About 2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol

2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol (PubChem CID 113475430) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol
PubChem CID113475430
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol
SMILESCCOc1cc(N(C)C(C)(C)CO)ccc1N
InChIInChI=1S/C13H22N2O2/c1-5-17-12-8-10(6-7-11(12)14)15(4)13(2,3)9-16/h6-8,16H,5,9,14H2,1-4H3
InChIKeyYCMOZJIWZDXBDX-UHFFFAOYSA-N
XLogP1.87
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63677519
2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine
CID 63670487
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
2-ethoxy-4-N-(2-methoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 63671709
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578
4-[4-amino-N-(3,4-dihydroxybutyl)-3-ethoxyanilino]butane-1,2-diol
CID 59090244
2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol
CID 63675494
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
CID 79588900
3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
CID 114152908
3-(4-amino-3-ethoxy-N-methylanilino)butanenitrile
CID 55232164
4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol
CID 79588662

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol (CID 113475430) is 2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol is CCOc1cc(N(C)C(C)(C)CO)ccc1N.
What is the InChIKey of 2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol?
The InChIKey is YCMOZJIWZDXBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-17-12-8-10(6-7-11(12)14)15(4)13(2,3)9-16/h6-8,16H,5,9,14H2,1-4H3.
What are the key properties of 2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol?
2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 113475430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).