[3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine

C15H15ClN2 — CID 13324725

IUPAC[3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine
SMILESNCc1cccc(N2CCc3cc(Cl)ccc32)c1
InChIInChI=1S/C15H15ClN2/c16-13-4-5-15-12(9-13)6-7-18(15)14-3-1-2-11(8-14)10-17/h1-5,8-9H,6-7,10,17H2
InChIKeyGVQTWFVGZJDALE-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.49
Rot. Bonds2

About [3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine

[3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine (PubChem CID 13324725) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is [3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine
PubChem CID13324725
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name[3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine
SMILESNCc1cccc(N2CCc3cc(Cl)ccc32)c1
InChIInChI=1S/C15H15ClN2/c16-13-4-5-15-12(9-13)6-7-18(15)14-3-1-2-11(8-14)10-17/h1-5,8-9H,6-7,10,17H2
InChIKeyGVQTWFVGZJDALE-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine?
The IUPAC name of [3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine (CID 13324725) is [3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine is NCc1cccc(N2CCc3cc(Cl)ccc32)c1.
What is the InChIKey of [3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine?
The InChIKey is GVQTWFVGZJDALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c16-13-4-5-15-12(9-13)6-7-18(15)14-3-1-2-11(8-14)10-17/h1-5,8-9H,6-7,10,17H2.
What are the key properties of [3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine?
[3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine has a molecular weight of 258.75 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-2,3-dihydroindol-1-yl)phenyl]methanamine is sourced from PubChem (CID 13324725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).