N-[(2,3-dichlorophenyl)methyl]ethanamine

C9H11Cl2N — CID 4719440

IUPACN-[(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1Cl
InChIInChI=1S/C9H11Cl2N/c1-2-12-6-7-4-3-5-8(10)9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyVYUXKUPKUUKLCG-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.10
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]ethanamine

N-[(2,3-dichlorophenyl)methyl]ethanamine (PubChem CID 4719440) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]ethanamine
PubChem CID4719440
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC NameN-[(2,3-dichlorophenyl)methyl]ethanamine
SMILESCCNCc1cccc(Cl)c1Cl
InChIInChI=1S/C9H11Cl2N/c1-2-12-6-7-4-3-5-8(10)9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyVYUXKUPKUUKLCG-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]ethanamine (CID 4719440) is N-[(2,3-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]ethanamine is CCNCc1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]ethanamine?
The InChIKey is VYUXKUPKUUKLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-2-12-6-7-4-3-5-8(10)9(7)11/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]ethanamine?
N-[(2,3-dichlorophenyl)methyl]ethanamine has a molecular weight of 204.10 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 4719440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).