N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine

C15H21ClN2 — CID 82501552

IUPACN-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCn1cc(CCNC(C)(C)C)c2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN2/c1-15(2,3)17-8-7-11-10-18(4)14-9-12(16)5-6-13(11)14/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyFZTANZYKDXYTJC-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.76
Rot. Bonds3

About N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine

N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 82501552) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID82501552
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC NameN-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCn1cc(CCNC(C)(C)C)c2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN2/c1-15(2,3)17-8-7-11-10-18(4)14-9-12(16)5-6-13(11)14/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyFZTANZYKDXYTJC-UHFFFAOYSA-N
XLogP3.76
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine (CID 82501552) is N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine is Cn1cc(CCNC(C)(C)C)c2ccc(Cl)cc21.
What is the InChIKey of N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is FZTANZYKDXYTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-15(2,3)17-8-7-11-10-18(4)14-9-12(16)5-6-13(11)14/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 264.80 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82501552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).