(1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine

C9H8Cl3N — CID 130699448

IUPAC(1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3N/c1-2-8(13)9-6(11)3-5(10)4-7(9)12/h2-4,8H,1,13H2/t8-/m1/s1
InChIKeyCTAXECBVNURLIZ-MRVPVSSYSA-N
MW236.53 g/mol
LogP3.83
Rot. Bonds2

About (1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine

(1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine (PubChem CID 130699448) has the molecular formula C9H8Cl3N and a molecular weight of 236.53 g/mol. Its IUPAC name is (1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine
PubChem CID130699448
Molecular FormulaC9H8Cl3N
Molecular Weight236.53 g/mol
Exact Mass234.97
IUPAC Name(1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3N/c1-2-8(13)9-6(11)3-5(10)4-7(9)12/h2-4,8H,1,13H2/t8-/m1/s1
InChIKeyCTAXECBVNURLIZ-MRVPVSSYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine (CID 130699448) is (1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine is C=C[C@@H](N)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine?
The InChIKey is CTAXECBVNURLIZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8Cl3N/c1-2-8(13)9-6(11)3-5(10)4-7(9)12/h2-4,8H,1,13H2/t8-/m1/s1.
What are the key properties of (1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine?
(1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine has a molecular weight of 236.53 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 130699448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).