N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline

C17H17ClN2 — CID 103474632

IUPACN-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NCCn2ccc3cccc(Cl)c32)cc1
InChIInChI=1S/C17H17ClN2/c1-13-5-7-15(8-6-13)19-10-12-20-11-9-14-3-2-4-16(18)17(14)20/h2-9,11,19H,10,12H2,1H3
InChIKeyCYXNQSHDBLPWLL-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.72
Rot. Bonds4

About N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline

N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline (PubChem CID 103474632) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline
PubChem CID103474632
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC NameN-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NCCn2ccc3cccc(Cl)c32)cc1
InChIInChI=1S/C17H17ClN2/c1-13-5-7-15(8-6-13)19-10-12-20-11-9-14-3-2-4-16(18)17(14)20/h2-9,11,19H,10,12H2,1H3
InChIKeyCYXNQSHDBLPWLL-UHFFFAOYSA-N
XLogP4.72
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline?
The IUPAC name of N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline (CID 103474632) is N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline.
What is the SMILES notation for N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline?
The canonical SMILES for N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline is Cc1ccc(NCCn2ccc3cccc(Cl)c32)cc1.
What is the InChIKey of N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline?
The InChIKey is CYXNQSHDBLPWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-13-5-7-15(8-6-13)19-10-12-20-11-9-14-3-2-4-16(18)17(14)20/h2-9,11,19H,10,12H2,1H3.
What are the key properties of N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline?
N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline has a molecular weight of 284.79 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 N-[2-(7-chloroindol-1-yl)ethyl]-4-methylaniline is sourced from PubChem (CID 103474632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).