4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine

C19H24N2 — CID 19849902

IUPAC4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine
SMILESC=CCc1c(C)c(N)cc(N)c1C(C)(C)c1ccccc1
InChIInChI=1S/C19H24N2/c1-5-9-15-13(2)16(20)12-17(21)18(15)19(3,4)14-10-7-6-8-11-14/h5-8,10-12H,1,9,20-21H2,2-4H3
InChIKeyADONPSVNQCVFLX-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.21
Rot. Bonds4

About 4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine

4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine (PubChem CID 19849902) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine
PubChem CID19849902
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine
SMILESC=CCc1c(C)c(N)cc(N)c1C(C)(C)c1ccccc1
InChIInChI=1S/C19H24N2/c1-5-9-15-13(2)16(20)12-17(21)18(15)19(3,4)14-10-7-6-8-11-14/h5-8,10-12H,1,9,20-21H2,2-4H3
InChIKeyADONPSVNQCVFLX-UHFFFAOYSA-N
XLogP4.21
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine?
The IUPAC name of 4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine (CID 19849902) is 4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine.
What is the SMILES notation for 4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine?
The canonical SMILES for 4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine is C=CCc1c(C)c(N)cc(N)c1C(C)(C)c1ccccc1.
What is the InChIKey of 4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine?
The InChIKey is ADONPSVNQCVFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-5-9-15-13(2)16(20)12-17(21)18(15)19(3,4)14-10-7-6-8-11-14/h5-8,10-12H,1,9,20-21H2,2-4H3.
What are the key properties of 4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine?
4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine has a molecular weight of 280.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-phenylpropan-2-yl)-5-prop-2-enylbenzene-1,3-diamine is sourced from PubChem (CID 19849902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).