1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine

C15H19N — CID 67798807

IUPAC1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(C)(N)CC(C)=C1c1ccccc1
InChIInChI=1S/C15H19N/c1-11-9-15(3,16)10-12(2)14(11)13-7-5-4-6-8-13/h4-9H,10,16H2,1-3H3
InChIKeyXSMVRPSKLPNYLE-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.53
Rot. Bonds1

About 1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine

1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine (PubChem CID 67798807) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine
PubChem CID67798807
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(C)(N)CC(C)=C1c1ccccc1
InChIInChI=1S/C15H19N/c1-11-9-15(3,16)10-12(2)14(11)13-7-5-4-6-8-13/h4-9H,10,16H2,1-3H3
InChIKeyXSMVRPSKLPNYLE-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine (CID 67798807) is 1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine is CC1=CC(C)(N)CC(C)=C1c1ccccc1.
What is the InChIKey of 1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine?
The InChIKey is XSMVRPSKLPNYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-11-9-15(3,16)10-12(2)14(11)13-7-5-4-6-8-13/h4-9H,10,16H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine?
1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-phenylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67798807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).