4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine

C11H19NO — CID 155053536

IUPAC4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine
SMILESCOC1=CC=C(NC(C)C)C(C)C1
InChIInChI=1S/C11H19NO/c1-8(2)12-11-6-5-10(13-4)7-9(11)3/h5-6,8-9,12H,7H2,1-4H3
InChIKeyXAQPLDNPARRLII-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.44
Rot. Bonds3

About 4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine

4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine (PubChem CID 155053536) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine
PubChem CID155053536
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine
SMILESCOC1=CC=C(NC(C)C)C(C)C1
InChIInChI=1S/C11H19NO/c1-8(2)12-11-6-5-10(13-4)7-9(11)3/h5-6,8-9,12H,7H2,1-4H3
InChIKeyXAQPLDNPARRLII-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine (CID 155053536) is 4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine is COC1=CC=C(NC(C)C)C(C)C1.
What is the InChIKey of 4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is XAQPLDNPARRLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)12-11-6-5-10(13-4)7-9(11)3/h5-6,8-9,12H,7H2,1-4H3.
What are the key properties of 4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine?
4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-propan-2-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 155053536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).