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

C12H13Cl2N — CID 83262302

IUPAC4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine
SMILESNC1CC=C(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H13Cl2N/c13-11-6-3-9(7-12(11)14)8-1-4-10(15)5-2-8/h1,3,6-7,10H,2,4-5,15H2
InChIKeyHGXLEDQFHUGVOD-UHFFFAOYSA-N
MW242.15 g/mol
LogP3.89
Rot. Bonds1

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

4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine (PubChem CID 83262302) has the molecular formula C12H13Cl2N and a molecular weight of 242.15 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine
PubChem CID83262302
Molecular FormulaC12H13Cl2N
Molecular Weight242.15 g/mol
Exact Mass241.04
IUPAC Name4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine
SMILESNC1CC=C(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H13Cl2N/c13-11-6-3-9(7-12(11)14)8-1-4-10(15)5-2-8/h1,3,6-7,10H,2,4-5,15H2
InChIKeyHGXLEDQFHUGVOD-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine (CID 83262302) is 4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine is NC1CC=C(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine?
The InChIKey is HGXLEDQFHUGVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N/c13-11-6-3-9(7-12(11)14)8-1-4-10(15)5-2-8/h1,3,6-7,10H,2,4-5,15H2.
What are the key properties of 4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine?
4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine has a molecular weight of 242.15 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 83262302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).