5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine

C16H20N2O2 — CID 80723073

IUPAC5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C16H20N2O2/c1-11(2)20-15-6-4-13(5-7-15)18-14-8-12(17)9-16(10-14)19-3/h4-11,18H,17H2,1-3H3
InChIKeyGIQKOPJRVJKAMM-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.81
Rot. Bonds5

About 5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine

5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine (PubChem CID 80723073) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
PubChem CID80723073
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C16H20N2O2/c1-11(2)20-15-6-4-13(5-7-15)18-14-8-12(17)9-16(10-14)19-3/h4-11,18H,17H2,1-3H3
InChIKeyGIQKOPJRVJKAMM-UHFFFAOYSA-N
XLogP3.81
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.81
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

3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721970
3-N-(3,4-difluorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723054
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-[(4-methoxyphenyl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80726923
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
3-N-(3,4-difluorophenyl)-5-methoxybenzene-1,3-diamine
CID 80722910
3-N-(1-benzothiophen-5-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80740277
3-N-(5-chloro-2-methoxyphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80727041
3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine
CID 80735790
5-(3-amino-5-propan-2-yloxyanilino)-2-fluorobenzonitrile
CID 80739405
3-N-(2-bromophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723056

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine?
The IUPAC name of 5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine (CID 80723073) is 5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine is COc1cc(N)cc(Nc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine?
The InChIKey is GIQKOPJRVJKAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)20-15-6-4-13(5-7-15)18-14-8-12(17)9-16(10-14)19-3/h4-11,18H,17H2,1-3H3.
What are the key properties of 5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine?
5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine is sourced from PubChem (CID 80723073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).