(1R)-1-(3,4-dichlorophenyl)ethanamine

C8H9Cl2N — CID 793515

IUPAC(1R)-1-(3,4-dichlorophenyl)ethanamine
SMILESC[C@@H](N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m1/s1
InChIKeyUJUFOUVXOUYYRG-RXMQYKEDSA-N
MW190.07 g/mol
LogP3.01
Rot. Bonds1

About (1R)-1-(3,4-dichlorophenyl)ethanamine

(1R)-1-(3,4-dichlorophenyl)ethanamine (PubChem CID 793515) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is (1R)-1-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3,4-dichlorophenyl)ethanamine
PubChem CID793515
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name(1R)-1-(3,4-dichlorophenyl)ethanamine
SMILESC[C@@H](N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m1/s1
InChIKeyUJUFOUVXOUYYRG-RXMQYKEDSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of (1R)-1-(3,4-dichlorophenyl)ethanamine (CID 793515) is (1R)-1-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for (1R)-1-(3,4-dichlorophenyl)ethanamine is C[C@@H](N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1R)-1-(3,4-dichlorophenyl)ethanamine?
The InChIKey is UJUFOUVXOUYYRG-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9Cl2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(3,4-dichlorophenyl)ethanamine?
(1R)-1-(3,4-dichlorophenyl)ethanamine has a molecular weight of 190.07 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 793515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).