2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol

C13H22N2O3 — CID 80739762

IUPAC2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol
SMILESCC(C)Oc1cc(N)cc(NCCOCCO)c1
InChIInChI=1S/C13H22N2O3/c1-10(2)18-13-8-11(14)7-12(9-13)15-3-5-17-6-4-16/h7-10,15-16H,3-6,14H2,1-2H3
InChIKeyOUNOTQUAPQQJRF-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.48
Rot. Bonds8

About 2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol

2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol (PubChem CID 80739762) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol
PubChem CID80739762
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol
SMILESCC(C)Oc1cc(N)cc(NCCOCCO)c1
InChIInChI=1S/C13H22N2O3/c1-10(2)18-13-8-11(14)7-12(9-13)15-3-5-17-6-4-16/h7-10,15-16H,3-6,14H2,1-2H3
InChIKeyOUNOTQUAPQQJRF-UHFFFAOYSA-N
XLogP1.48
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739389
N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide
CID 80730929
3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol
CID 106183454
2-[2-[2-[2-(4-aminoanilino)ethoxy]ethoxy]ethoxy]ethanol
CID 150016700
2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol
CID 80734602
3-N-(2-propan-2-yloxyethyl)-5-propoxybenzene-1,3-diamine
CID 104758765
3-N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80734583
5-methyl-3-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
CID 112647608
3-N-[(4-methoxyphenyl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80726923
3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721970
N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline
CID 103178499

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol (CID 80739762) is 2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol is CC(C)Oc1cc(N)cc(NCCOCCO)c1.
What is the InChIKey of 2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol?
The InChIKey is OUNOTQUAPQQJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(2)18-13-8-11(14)7-12(9-13)15-3-5-17-6-4-16/h7-10,15-16H,3-6,14H2,1-2H3.
What are the key properties of 2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol?
2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol has a molecular weight of 254.33 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol is sourced from PubChem (CID 80739762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).