5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine

C15H19NO2 — CID 151840863

IUPAC5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine
SMILESCOc1ccc(C2(C)C=CC=C(N)C2)cc1OC
InChIInChI=1S/C15H19NO2/c1-15(8-4-5-12(16)10-15)11-6-7-13(17-2)14(9-11)18-3/h4-9H,10,16H2,1-3H3
InChIKeySGPYVCDXNZUNOM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.76
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine

5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine (PubChem CID 151840863) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine
PubChem CID151840863
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine
SMILESCOc1ccc(C2(C)C=CC=C(N)C2)cc1OC
InChIInChI=1S/C15H19NO2/c1-15(8-4-5-12(16)10-15)11-6-7-13(17-2)14(9-11)18-3/h4-9H,10,16H2,1-3H3
InChIKeySGPYVCDXNZUNOM-UHFFFAOYSA-N
XLogP2.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine (CID 151840863) is 5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine is COc1ccc(C2(C)C=CC=C(N)C2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is SGPYVCDXNZUNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(8-4-5-12(16)10-15)11-6-7-13(17-2)14(9-11)18-3/h4-9H,10,16H2,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine?
5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 245.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-5-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 151840863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).