2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride

C17H17Cl3N2 — CID 127039620

IUPAC2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride
SMILESCl.NCCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C17H16Cl2N2.ClH/c18-15-6-5-12(9-16(15)19)10-21-11-13(7-8-20)14-3-1-2-4-17(14)21;/h1-6,9,11H,7-8,10,20H2;1H
InChIKeyVMKYZLAPWGNCSW-UHFFFAOYSA-N
MW355.70 g/mol
LogP4.92
Rot. Bonds4

About 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride

2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride (PubChem CID 127039620) has the molecular formula C17H17Cl3N2 and a molecular weight of 355.70 g/mol. Its IUPAC name is 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride
PubChem CID127039620
Molecular FormulaC17H17Cl3N2
Molecular Weight355.70 g/mol
Exact Mass354.05
IUPAC Name2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride
SMILESCl.NCCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C17H16Cl2N2.ClH/c18-15-6-5-12(9-16(15)19)10-21-11-13(7-8-20)14-3-1-2-4-17(14)21;/h1-6,9,11H,7-8,10,20H2;1H
InChIKeyVMKYZLAPWGNCSW-UHFFFAOYSA-N
XLogP4.92
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride (CID 127039620) is 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride is Cl.NCCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12.
What is the InChIKey of 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride?
The InChIKey is VMKYZLAPWGNCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2.ClH/c18-15-6-5-12(9-16(15)19)10-21-11-13(7-8-20)14-3-1-2-4-17(14)21;/h1-6,9,11H,7-8,10,20H2;1H.
What are the key properties of 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride?
2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride has a molecular weight of 355.70 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 127039620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).