2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine

C17H17ClN2 — CID 54288781

IUPAC2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c[nH]c2ccc(-c3ccccc3)c(Cl)c12
InChIInChI=1S/C17H17ClN2/c1-19-10-9-13-11-20-15-8-7-14(17(18)16(13)15)12-5-3-2-4-6-12/h2-8,11,19-20H,9-10H2,1H3
InChIKeyRWAOWPWHMMFBEZ-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.25
Rot. Bonds4

About 2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine

2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine (PubChem CID 54288781) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine
PubChem CID54288781
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c[nH]c2ccc(-c3ccccc3)c(Cl)c12
InChIInChI=1S/C17H17ClN2/c1-19-10-9-13-11-20-15-8-7-14(17(18)16(13)15)12-5-3-2-4-6-12/h2-8,11,19-20H,9-10H2,1H3
InChIKeyRWAOWPWHMMFBEZ-UHFFFAOYSA-N
XLogP4.25
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine (CID 54288781) is 2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine is CNCCc1c[nH]c2ccc(-c3ccccc3)c(Cl)c12.
What is the InChIKey of 2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is RWAOWPWHMMFBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-19-10-9-13-11-20-15-8-7-14(17(18)16(13)15)12-5-3-2-4-6-12/h2-8,11,19-20H,9-10H2,1H3.
What are the key properties of 2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine?
2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 284.79 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-phenyl-1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 54288781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).