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

C12H13Cl2N — CID 68772019

IUPAC(1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine
SMILESN[C@@H]1CC=CC[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N/c13-8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)15/h1-2,5-7,10,12H,3-4,15H2/t10-,12+/m0/s1
InChIKeyYAAKSRZNMFFBAJ-CMPLNLGQSA-N
MW242.15 g/mol
LogP3.75
Rot. Bonds1

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

(1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine (PubChem CID 68772019) has the molecular formula C12H13Cl2N and a molecular weight of 242.15 g/mol. Its IUPAC name is (1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine
PubChem CID68772019
Molecular FormulaC12H13Cl2N
Molecular Weight242.15 g/mol
Exact Mass241.04
IUPAC Name(1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine
SMILESN[C@@H]1CC=CC[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N/c13-8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)15/h1-2,5-7,10,12H,3-4,15H2/t10-,12+/m0/s1
InChIKeyYAAKSRZNMFFBAJ-CMPLNLGQSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,6S)-6-(2,4-dichlorophenyl)cyclohex-3-ene-1-carboxylic acid
CID 34364287
(1R,6S)-6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine
CID 68769709
6-(2,4-dichlorophenyl)-3-phenylcyclohex-3-en-1-amine
CID 68769713
[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine
CID 94557667
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanamine
CID 28912124
(1S,9S,13R)-5-chlorotricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-13-amine
CID 133082268
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanol
CID 28912113
(1S)-1-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]ethanol
CID 124746698
N-[[2-(2,4-dichlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708576
2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane
CID 67803634
(3S,4S)-4-(2,4-dichlorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124675449
4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374961

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine?
The IUPAC name of (1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine (CID 68772019) is (1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine.
What is the SMILES notation for (1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine?
The canonical SMILES for (1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine is N[C@@H]1CC=CC[C@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine?
The InChIKey is YAAKSRZNMFFBAJ-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H13Cl2N/c13-8-5-6-9(11(14)7-8)10-3-1-2-4-12(10)15/h1-2,5-7,10,12H,3-4,15H2/t10-,12+/m0/s1.
What are the key properties of (1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine?
(1R,6S)-6-(2,4-dichlorophenyl)cyclohex-3-en-1-amine has a molecular weight of 242.15 g/mol, XLogP of 3.75, 1 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)cyclohex-3-en-1-amine is sourced from PubChem (CID 68772019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).