2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol

C17H22N2O2 — CID 63677132

IUPAC2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol
SMILESCCOc1cc(NC(CO)Cc2ccccc2)ccc1N
InChIInChI=1S/C17H22N2O2/c1-2-21-17-11-14(8-9-16(17)18)19-15(12-20)10-13-6-4-3-5-7-13/h3-9,11,15,19-20H,2,10,12,18H2,1H3
InChIKeyXEJTWWBWXIEXCF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.68
Rot. Bonds7

About 2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol

2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol (PubChem CID 63677132) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol
PubChem CID63677132
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol
SMILESCCOc1cc(NC(CO)Cc2ccccc2)ccc1N
InChIInChI=1S/C17H22N2O2/c1-2-21-17-11-14(8-9-16(17)18)19-15(12-20)10-13-6-4-3-5-7-13/h3-9,11,15,19-20H,2,10,12,18H2,1H3
InChIKeyXEJTWWBWXIEXCF-UHFFFAOYSA-N
XLogP2.68
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-4-nitroanilino)-3-phenylpropan-1-ol
CID 106749289
2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671320
3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol
CID 106348438
2-[(4-amino-5-methyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 83265448
2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine
CID 107643474
2-(4-bromoanilino)-3-phenylpropan-1-ol
CID 61049860
2-(4-amino-3-ethoxyanilino)-2-ethylpropane-1,3-diol
CID 107864632
4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 110673589
2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide
CID 119286174
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol
CID 55232564
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol?
The IUPAC name of 2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol (CID 63677132) is 2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol is CCOc1cc(NC(CO)Cc2ccccc2)ccc1N.
What is the InChIKey of 2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol?
The InChIKey is XEJTWWBWXIEXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-21-17-11-14(8-9-16(17)18)19-15(12-20)10-13-6-4-3-5-7-13/h3-9,11,15,19-20H,2,10,12,18H2,1H3.
What are the key properties of 2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol?
2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol is sourced from PubChem (CID 63677132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).