4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine

C16H19ClN2O — CID 83002794

IUPAC4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCc1ccc(Cl)cc1Nc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C16H19ClN2O/c1-10(2)20-16-9-13(6-7-14(16)18)19-15-8-12(17)5-4-11(15)3/h4-10,19H,18H2,1-3H3
InChIKeyPCNOCQCPHQUJHB-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.76
Rot. Bonds4

About 4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine

4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83002794) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83002794
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCc1ccc(Cl)cc1Nc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C16H19ClN2O/c1-10(2)20-16-9-13(6-7-14(16)18)19-15-8-12(17)5-4-11(15)3/h4-10,19H,18H2,1-3H3
InChIKeyPCNOCQCPHQUJHB-UHFFFAOYSA-N
XLogP4.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.76
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

4-N-(5-chloro-2-methylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232941
3-(4-amino-3-propan-2-yloxyanilino)-4-methylbenzonitrile
CID 83005086
4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005350
4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002233
4-N-(4-fluoro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83001941
4-N-(4-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002014
4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002172
4-N-(4-bromo-2,3-dichlorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 107787009
4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 107633687
4-N-(3-fluoro-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83004506
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine (CID 83002794) is 4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine is Cc1ccc(Cl)cc1Nc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is PCNOCQCPHQUJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10(2)20-16-9-13(6-7-14(16)18)19-15-8-12(17)5-4-11(15)3/h4-10,19H,18H2,1-3H3.
What are the key properties of 4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 290.79 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83002794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).