N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine

C14H19ClN2 — CID 82499277

IUPACN-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1cn(C)c2c(Cl)cccc12
InChIInChI=1S/C14H19ClN2/c1-10(2)16-8-7-11-9-17(3)14-12(11)5-4-6-13(14)15/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyFDOIQOIAFVTLLY-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.37
Rot. Bonds4

About N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine

N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine (PubChem CID 82499277) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine
PubChem CID82499277
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC NameN-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1cn(C)c2c(Cl)cccc12
InChIInChI=1S/C14H19ClN2/c1-10(2)16-8-7-11-9-17(3)14-12(11)5-4-6-13(14)15/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyFDOIQOIAFVTLLY-UHFFFAOYSA-N
XLogP3.37
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine (CID 82499277) is N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine is CC(C)NCCc1cn(C)c2c(Cl)cccc12.
What is the InChIKey of N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine?
The InChIKey is FDOIQOIAFVTLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-10(2)16-8-7-11-9-17(3)14-12(11)5-4-6-13(14)15/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine?
N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine has a molecular weight of 250.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-1-methylindol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 82499277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).