4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine

C14H19N — CID 83261457

IUPAC4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine
SMILESCc1ccc(C2=CCC(N)CC2)cc1C
InChIInChI=1S/C14H19N/c1-10-3-4-13(9-11(10)2)12-5-7-14(15)8-6-12/h3-5,9,14H,6-8,15H2,1-2H3
InChIKeyNBIHWJSZUYDZQD-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.20
Rot. Bonds1

About 4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine

4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine (PubChem CID 83261457) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine
PubChem CID83261457
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine
SMILESCc1ccc(C2=CCC(N)CC2)cc1C
InChIInChI=1S/C14H19N/c1-10-3-4-13(9-11(10)2)12-5-7-14(15)8-6-12/h3-5,9,14H,6-8,15H2,1-2H3
InChIKeyNBIHWJSZUYDZQD-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine (CID 83261457) is 4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine is Cc1ccc(C2=CCC(N)CC2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine?
The InChIKey is NBIHWJSZUYDZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-3-4-13(9-11(10)2)12-5-7-14(15)8-6-12/h3-5,9,14H,6-8,15H2,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine?
4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 83261457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).