2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine

C24H29NO — CID 135271324

IUPAC2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine
SMILESCC(C)=CCCC1(C)C=Cc2c(N)c(-c3ccc(C)cc3)cc(C)c2O1
InChIInChI=1S/C24H29NO/c1-16(2)7-6-13-24(5)14-12-20-22(25)21(15-18(4)23(20)26-24)19-10-8-17(3)9-11-19/h7-12,14-15H,6,13,25H2,1-5H3
InChIKeyIBAIMMDZRZPULU-UHFFFAOYSA-N
MW347.50 g/mol
LogP6.46
Rot. Bonds4

About 2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine

2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine (PubChem CID 135271324) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine.

Molecular Properties

Compound Name2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine
PubChem CID135271324
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine
SMILESCC(C)=CCCC1(C)C=Cc2c(N)c(-c3ccc(C)cc3)cc(C)c2O1
InChIInChI=1S/C24H29NO/c1-16(2)7-6-13-24(5)14-12-20-22(25)21(15-18(4)23(20)26-24)19-10-8-17(3)9-11-19/h7-12,14-15H,6,13,25H2,1-5H3
InChIKeyIBAIMMDZRZPULU-UHFFFAOYSA-N
XLogP6.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 56.46
H-Bond Donors ≤ 51
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 2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine?
The IUPAC name of 2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine (CID 135271324) is 2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine.
What is the SMILES notation for 2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine?
The canonical SMILES for 2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine is CC(C)=CCCC1(C)C=Cc2c(N)c(-c3ccc(C)cc3)cc(C)c2O1.
What is the InChIKey of 2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine?
The InChIKey is IBAIMMDZRZPULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-16(2)7-6-13-24(5)14-12-20-22(25)21(15-18(4)23(20)26-24)19-10-8-17(3)9-11-19/h7-12,14-15H,6,13,25H2,1-5H3.
What are the key properties of 2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine?
2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine has a molecular weight of 347.50 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-2-(4-methylpent-3-enyl)-6-(4-methylphenyl)chromen-5-amine is sourced from PubChem (CID 135271324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).