4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine

C15H24N2O2 — CID 106394354

IUPAC4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESC=CCCOCCNc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-4-5-9-18-10-8-17-13-6-7-14(16)15(11-13)19-12(2)3/h4,6-7,11-12,17H,1,5,8-10,16H2,2-3H3
InChIKeyDWBMNWLPXIXQPP-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.06
Rot. Bonds9

About 4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine

4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 106394354) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID106394354
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESC=CCCOCCNc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-4-5-9-18-10-8-17-13-6-7-14(16)15(11-13)19-12(2)3/h4,6-7,11-12,17H,1,5,8-10,16H2,2-3H3
InChIKeyDWBMNWLPXIXQPP-UHFFFAOYSA-N
XLogP3.06
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
2-propan-2-yloxy-4-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 83002196
N-(2-but-3-enoxyethyl)-4-methylaniline
CID 62599565
4-N-[2-(2-methylpropoxy)ethyl]benzene-1,2,4-triamine
CID 106751223
4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 113449895
1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol
CID 107151111
3-(4-amino-3-propan-2-yloxyanilino)-2-methylpropane-1,2-diol
CID 83002120
4-N-[(2,5-difluorophenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83005121
4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002662
4-N-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 106007357
4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
CID 83012844
2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine
CID 114465365

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine (CID 106394354) is 4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine is C=CCCOCCNc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is DWBMNWLPXIXQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-9-18-10-8-17-13-6-7-14(16)15(11-13)19-12(2)3/h4,6-7,11-12,17H,1,5,8-10,16H2,2-3H3.
What are the key properties of 4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 264.37 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-but-3-enoxyethyl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 106394354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).