N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine

C14H19ClN2O — CID 63879551

IUPACN-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C14H19ClN2O/c1-11(10-18-2)16-6-8-17-7-5-12-9-13(15)3-4-14(12)17/h3-5,7,9,11,16H,6,8,10H2,1-2H3
InChIKeyUTBLNEHMIJFTJC-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine

N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine (PubChem CID 63879551) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
PubChem CID63879551
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCn1ccc2cc(Cl)ccc21
InChIInChI=1S/C14H19ClN2O/c1-11(10-18-2)16-6-8-17-7-5-12-9-13(15)3-4-14(12)17/h3-5,7,9,11,16H,6,8,10H2,1-2H3
InChIKeyUTBLNEHMIJFTJC-UHFFFAOYSA-N
XLogP2.92
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine (CID 63879551) is N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine is COCC(C)NCCn1ccc2cc(Cl)ccc21.
What is the InChIKey of N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is UTBLNEHMIJFTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11(10-18-2)16-6-8-17-7-5-12-9-13(15)3-4-14(12)17/h3-5,7,9,11,16H,6,8,10H2,1-2H3.
What are the key properties of N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine?
N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 266.77 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 63879551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).