3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol

C15H26N2O2 — CID 106183454

IUPAC3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol
SMILESCC(C)Oc1cc(N)cc(NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C15H26N2O2/c1-10(2)19-13-8-11(16)7-12(9-13)17-14(3,4)15(5,6)18/h7-10,17-18H,16H2,1-6H3
InChIKeyFMUZYZYBFVRABA-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.02
Rot. Bonds5

About 3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol

3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol (PubChem CID 106183454) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol
PubChem CID106183454
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol
SMILESCC(C)Oc1cc(N)cc(NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C15H26N2O2/c1-10(2)19-13-8-11(16)7-12(9-13)17-14(3,4)15(5,6)18/h7-10,17-18H,16H2,1-6H3
InChIKeyFMUZYZYBFVRABA-UHFFFAOYSA-N
XLogP3.02
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.02
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-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol
CID 80739762
3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721970
3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723309
N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide
CID 80730929
3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739389
2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol
CID 80734602
3-N-[(4-methoxyphenyl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80726923
3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80740319
3-N-(3,4-difluorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723054
3-N-(2-bromophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723056
3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80735464

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol (CID 106183454) is 3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol is CC(C)Oc1cc(N)cc(NC(C)(C)C(C)(C)O)c1.
What is the InChIKey of 3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol?
The InChIKey is FMUZYZYBFVRABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)19-13-8-11(16)7-12(9-13)17-14(3,4)15(5,6)18/h7-10,17-18H,16H2,1-6H3.
What are the key properties of 3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol?
3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106183454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).