4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine

C18H24N2O — CID 63671289

IUPAC4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(Nc2ccccc2C(C)C)ccc1N
InChIInChI=1S/C18H24N2O/c1-4-11-21-18-12-14(9-10-16(18)19)20-17-8-6-5-7-15(17)13(2)3/h5-10,12-13,20H,4,11,19H2,1-3H3
InChIKeyMYOVPVBDFIIAOE-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.92
Rot. Bonds6

About 4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine

4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine (PubChem CID 63671289) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine
PubChem CID63671289
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(Nc2ccccc2C(C)C)ccc1N
InChIInChI=1S/C18H24N2O/c1-4-11-21-18-12-14(9-10-16(18)19)20-17-8-6-5-7-15(17)13(2)3/h5-10,12-13,20H,4,11,19H2,1-3H3
InChIKeyMYOVPVBDFIIAOE-UHFFFAOYSA-N
XLogP4.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.92
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-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine
CID 107643474
4-N-(5-chloro-2-fluorophenyl)-2-propoxybenzene-1,4-diamine
CID 63671478
4-N-(2-bromo-4-methylphenyl)-2-propoxybenzene-1,4-diamine
CID 63671115
2-ethoxy-4-N-(3-propan-2-ylphenyl)benzene-1,4-diamine
CID 63671137
3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
CID 43132792
4-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
4-(4-amino-3-propoxyanilino)-3-bromobenzonitrile
CID 107787305
4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
CID 114174133
2-(4-amino-3-propoxyanilino)-N-methylpropanamide
CID 55232152
4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine
CID 63675669
4-N-(2-bromo-6-fluorophenyl)-2-propoxybenzene-1,4-diamine
CID 107596748

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine (CID 63671289) is 4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine is CCCOc1cc(Nc2ccccc2C(C)C)ccc1N.
What is the InChIKey of 4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine?
The InChIKey is MYOVPVBDFIIAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-11-21-18-12-14(9-10-16(18)19)20-17-8-6-5-7-15(17)13(2)3/h5-10,12-13,20H,4,11,19H2,1-3H3.
What are the key properties of 4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine?
4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine has a molecular weight of 284.40 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propan-2-ylphenyl)-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 63671289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).