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

C18H17Cl2N — CID 68769709

IUPAC(1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine
SMILESN[C@@H]1CC(c2ccccc2)=CC[C@H]1c1ccc(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/t16-,18+/m0/s1
InChIKeyUNFOLAHAVVLEKD-FUHWJXTLSA-N
MW318.25 g/mol
LogP5.28
Rot. Bonds2

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

(1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine (PubChem CID 68769709) has the molecular formula C18H17Cl2N and a molecular weight of 318.25 g/mol. Its IUPAC name is (1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine
PubChem CID68769709
Molecular FormulaC18H17Cl2N
Molecular Weight318.25 g/mol
Exact Mass317.07
IUPAC Name(1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine
SMILESN[C@@H]1CC(c2ccccc2)=CC[C@H]1c1ccc(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/t16-,18+/m0/s1
InChIKeyUNFOLAHAVVLEKD-FUHWJXTLSA-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 (1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine?
The IUPAC name of (1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine (CID 68769709) is (1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine.
What is the SMILES notation for (1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine?
The canonical SMILES for (1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine is N[C@@H]1CC(c2ccccc2)=CC[C@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine?
The InChIKey is UNFOLAHAVVLEKD-FUHWJXTLSA-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/t16-,18+/m0/s1.
What are the key properties of (1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine?
(1R,6S)-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 (1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine is sourced from PubChem (CID 68769709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).