(1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine

C10H13Cl2N — CID 130713588

IUPAC(1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine
SMILESCCc1c([C@H](C)N)ccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2N/c1-3-7-8(6(2)13)4-5-9(11)10(7)12/h4-6H,3,13H2,1-2H3/t6-/m0/s1
InChIKeyWZAJOQUCVWTBCN-LURJTMIESA-N
MW218.13 g/mol
LogP3.58
Rot. Bonds2

About (1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine

(1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine (PubChem CID 130713588) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is (1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine
PubChem CID130713588
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name(1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine
SMILESCCc1c([C@H](C)N)ccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2N/c1-3-7-8(6(2)13)4-5-9(11)10(7)12/h4-6H,3,13H2,1-2H3/t6-/m0/s1
InChIKeyWZAJOQUCVWTBCN-LURJTMIESA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine?
The IUPAC name of (1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine (CID 130713588) is (1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine is CCc1c([C@H](C)N)ccc(Cl)c1Cl.
What is the InChIKey of (1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine?
The InChIKey is WZAJOQUCVWTBCN-LURJTMIESA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-3-7-8(6(2)13)4-5-9(11)10(7)12/h4-6H,3,13H2,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine?
(1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine has a molecular weight of 218.13 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine is sourced from PubChem (CID 130713588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).