3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine

C17H22N2O — CID 80721970

IUPAC3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCc1cc(C)cc(Nc2cc(N)cc(OC(C)C)c2)c1
InChIInChI=1S/C17H22N2O/c1-11(2)20-17-9-14(18)8-16(10-17)19-15-6-12(3)5-13(4)7-15/h5-11,19H,18H2,1-4H3
InChIKeyYXHYDGQUNRHJRK-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.42
Rot. Bonds4

About 3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine

3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine (PubChem CID 80721970) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
PubChem CID80721970
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCc1cc(C)cc(Nc2cc(N)cc(OC(C)C)c2)c1
InChIInChI=1S/C17H22N2O/c1-11(2)20-17-9-14(18)8-16(10-17)19-15-6-12(3)5-13(4)7-15/h5-11,19H,18H2,1-4H3
InChIKeyYXHYDGQUNRHJRK-UHFFFAOYSA-N
XLogP4.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(4-bromo-3-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80722114
3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723309
3-N-(2-bromo-5-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 82761389
3-N-(2-chloro-4-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721519
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-(2-fluoro-4-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721679
5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 80723073
3-N-(1-benzothiophen-5-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80740277
3-N-(3,5-dimethylphenyl)-5-propoxybenzene-1,3-diamine
CID 80722258
3-N-(3-bromo-5-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 107581916
2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol
CID 80734602

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine?
The IUPAC name of 3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine (CID 80721970) is 3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine is Cc1cc(C)cc(Nc2cc(N)cc(OC(C)C)c2)c1.
What is the InChIKey of 3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine?
The InChIKey is YXHYDGQUNRHJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(2)20-17-9-14(18)8-16(10-17)19-15-6-12(3)5-13(4)7-15/h5-11,19H,18H2,1-4H3.
What are the key properties of 3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine?
3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine has a molecular weight of 270.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine is sourced from PubChem (CID 80721970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).