N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine

C14H19ClN2 — CID 103474608

IUPACN-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C14H19ClN2/c1-14(2,3)16-8-10-17-9-7-11-5-4-6-12(15)13(11)17/h4-7,9,16H,8,10H2,1-3H3
InChIKeyISGMKMIQJPPABB-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.68
Rot. Bonds3

About N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine

N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 103474608) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine
PubChem CID103474608
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC NameN-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C14H19ClN2/c1-14(2,3)16-8-10-17-9-7-11-5-4-6-12(15)13(11)17/h4-7,9,16H,8,10H2,1-3H3
InChIKeyISGMKMIQJPPABB-UHFFFAOYSA-N
XLogP3.68
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.68
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]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine (CID 103474608) is N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCn1ccc2cccc(Cl)c21.
What is the InChIKey of N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is ISGMKMIQJPPABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-14(2,3)16-8-10-17-9-7-11-5-4-6-12(15)13(11)17/h4-7,9,16H,8,10H2,1-3H3.
What are the key properties of N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(7-chloroindol-1-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 250.77 g/mol, XLogP of 3.68, 3 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]-2-methylpropan-2-amine is sourced from PubChem (CID 103474608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).