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

C15H16Cl2N2O — CID 80723309

IUPAC3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCC(C)Oc1cc(N)cc(Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C15H16Cl2N2O/c1-9(2)20-15-7-12(18)6-14(8-15)19-13-4-10(16)3-11(17)5-13/h3-9,19H,18H2,1-2H3
InChIKeyVPLOMTUQGIYSFD-UHFFFAOYSA-N
MW311.21 g/mol
LogP5.11
Rot. Bonds4

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

3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine (PubChem CID 80723309) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
PubChem CID80723309
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCC(C)Oc1cc(N)cc(Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C15H16Cl2N2O/c1-9(2)20-15-7-12(18)6-14(8-15)19-13-4-10(16)3-11(17)5-13/h3-9,19H,18H2,1-2H3
InChIKeyVPLOMTUQGIYSFD-UHFFFAOYSA-N
XLogP5.11
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.21
LogP ≤ 55.11
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-(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-(2-chloro-4-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721519
3-N-(5-chloro-2-methoxyphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80727041
5-methoxy-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 80723073
3-N-(4-bromo-3-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80722114
5-(3-amino-5-propan-2-yloxyanilino)-2-fluorobenzonitrile
CID 80739405
3-N-(2-bromophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723056
3-N-(1-benzothiophen-5-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80740277
2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol
CID 80734602
3-N-(2-fluoro-4-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721679
3-N-(2-bromo-5-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 82761389

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine?
The IUPAC name of 3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine (CID 80723309) is 3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine is CC(C)Oc1cc(N)cc(Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine?
The InChIKey is VPLOMTUQGIYSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-9(2)20-15-7-12(18)6-14(8-15)19-13-4-10(16)3-11(17)5-13/h3-9,19H,18H2,1-2H3.
What are the key properties of 3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine?
3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine has a molecular weight of 311.21 g/mol, XLogP of 5.11, 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-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine is sourced from PubChem (CID 80723309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).