N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride

C9H12Cl3N — CID 17293895

IUPACN-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C9H11Cl2N.ClH/c1-2-12-6-7-3-4-8(10)9(11)5-7;/h3-5,12H,2,6H2,1H3;1H
InChIKeyHASMVVHCPCKYTJ-UHFFFAOYSA-N
MW240.56 g/mol
LogP3.52
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride

N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride (PubChem CID 17293895) has the molecular formula C9H12Cl3N and a molecular weight of 240.56 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride
PubChem CID17293895
Molecular FormulaC9H12Cl3N
Molecular Weight240.56 g/mol
Exact Mass239.00
IUPAC NameN-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C9H11Cl2N.ClH/c1-2-12-6-7-3-4-8(10)9(11)5-7;/h3-5,12H,2,6H2,1H3;1H
InChIKeyHASMVVHCPCKYTJ-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride (CID 17293895) is N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride is CCNCc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride?
The InChIKey is HASMVVHCPCKYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N.ClH/c1-2-12-6-7-3-4-8(10)9(11)5-7;/h3-5,12H,2,6H2,1H3;1H.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride?
N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride has a molecular weight of 240.56 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17293895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).