1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine

C15H21ClN2 — CID 117195612

IUPAC1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cn(C(C)C)c2ccc(Cl)cc12
InChIInChI=1S/C15H21ClN2/c1-10(2)18-9-12(7-11(3)17-4)14-8-13(16)5-6-15(14)18/h5-6,8-11,17H,7H2,1-4H3
InChIKeySEFBWTZCPSTLJU-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.03
Rot. Bonds4

About 1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine

1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine (PubChem CID 117195612) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine
PubChem CID117195612
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cn(C(C)C)c2ccc(Cl)cc12
InChIInChI=1S/C15H21ClN2/c1-10(2)18-9-12(7-11(3)17-4)14-8-13(16)5-6-15(14)18/h5-6,8-11,17H,7H2,1-4H3
InChIKeySEFBWTZCPSTLJU-UHFFFAOYSA-N
XLogP4.03
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine (CID 117195612) is 1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine is CNC(C)Cc1cn(C(C)C)c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine?
The InChIKey is SEFBWTZCPSTLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-10(2)18-9-12(7-11(3)17-4)14-8-13(16)5-6-15(14)18/h5-6,8-11,17H,7H2,1-4H3.
What are the key properties of 1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine?
1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine has a molecular weight of 264.80 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-propan-2-ylindol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117195612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).