3-methyl-6-phenylcyclohexa-1,5-dien-1-amine

C13H15N — CID 146321174

IUPAC3-methyl-6-phenylcyclohexa-1,5-dien-1-amine
SMILESCC1C=C(N)C(c2ccccc2)=CC1
InChIInChI=1S/C13H15N/c1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11/h2-6,8-10H,7,14H2,1H3
InChIKeyUSHHCIZPSLOQID-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.95
Rot. Bonds1

About 3-methyl-6-phenylcyclohexa-1,5-dien-1-amine

3-methyl-6-phenylcyclohexa-1,5-dien-1-amine (PubChem CID 146321174) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methyl-6-phenylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-methyl-6-phenylcyclohexa-1,5-dien-1-amine
PubChem CID146321174
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-methyl-6-phenylcyclohexa-1,5-dien-1-amine
SMILESCC1C=C(N)C(c2ccccc2)=CC1
InChIInChI=1S/C13H15N/c1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11/h2-6,8-10H,7,14H2,1H3
InChIKeyUSHHCIZPSLOQID-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-methyl-6-phenylcyclohexa-1,5-dien-1-amine (CID 146321174) is 3-methyl-6-phenylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-methyl-6-phenylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-methyl-6-phenylcyclohexa-1,5-dien-1-amine is CC1C=C(N)C(c2ccccc2)=CC1.
What is the InChIKey of 3-methyl-6-phenylcyclohexa-1,5-dien-1-amine?
The InChIKey is USHHCIZPSLOQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11/h2-6,8-10H,7,14H2,1H3.
What are the key properties of 3-methyl-6-phenylcyclohexa-1,5-dien-1-amine?
3-methyl-6-phenylcyclohexa-1,5-dien-1-amine has a molecular weight of 185.27 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 146321174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).