6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine

C18H17Cl2N — CID 68769713

IUPAC6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine
SMILESNC1CC(c2ccccc2)=CCC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N/c19-14-7-9-15(17(20)11-14)16-8-6-13(10-18(16)21)12-4-2-1-3-5-12/h1-7,9,11,16,18H,8,10,21H2
InChIKeyUNFOLAHAVVLEKD-UHFFFAOYSA-N
MW318.25 g/mol
LogP5.28
Rot. Bonds2

About 6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine

6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine (PubChem CID 68769713) has the molecular formula C18H17Cl2N and a molecular weight of 318.25 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine
PubChem CID68769713
Molecular FormulaC18H17Cl2N
Molecular Weight318.25 g/mol
Exact Mass317.07
IUPAC Name6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine
SMILESNC1CC(c2ccccc2)=CCC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N/c19-14-7-9-15(17(20)11-14)16-8-6-13(10-18(16)21)12-4-2-1-3-5-12/h1-7,9,11,16,18H,8,10,21H2
InChIKeyUNFOLAHAVVLEKD-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.25
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine?
The IUPAC name of 6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine (CID 68769713) is 6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine?
The canonical SMILES for 6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine is NC1CC(c2ccccc2)=CCC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine?
The InChIKey is UNFOLAHAVVLEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N/c19-14-7-9-15(17(20)11-14)16-8-6-13(10-18(16)21)12-4-2-1-3-5-12/h1-7,9,11,16,18H,8,10,21H2.
What are the key properties of 6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine?
6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine has a molecular weight of 318.25 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine is sourced from PubChem (CID 68769713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).