1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine

C17H16Cl2N2 — CID 107307311

IUPAC1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(ccn2Cc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H16Cl2N2/c1-20-10-12-5-6-16-13(9-12)7-8-21(16)11-14-3-2-4-15(18)17(14)19/h2-9,20H,10-11H2,1H3
InChIKeyNZYAWXSJNCQXND-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.72
Rot. Bonds4

About 1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine

1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine (PubChem CID 107307311) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine
PubChem CID107307311
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(ccn2Cc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H16Cl2N2/c1-20-10-12-5-6-16-13(9-12)7-8-21(16)11-14-3-2-4-15(18)17(14)19/h2-9,20H,10-11H2,1H3
InChIKeyNZYAWXSJNCQXND-UHFFFAOYSA-N
XLogP4.72
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine (CID 107307311) is 1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine is CNCc1ccc2c(ccn2Cc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine?
The InChIKey is NZYAWXSJNCQXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-20-10-12-5-6-16-13(9-12)7-8-21(16)11-14-3-2-4-15(18)17(14)19/h2-9,20H,10-11H2,1H3.
What are the key properties of 1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine?
1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine has a molecular weight of 319.24 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,3-dichlorophenyl)methyl]indol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 107307311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).