(R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine

C22H27N3O — CID 138644132

IUPAC(R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine
SMILESCCc1c([C@H](N)c2ccc(OCCN3CCC3)cc2)[nH]c2ccccc12
InChIInChI=1S/C22H27N3O/c1-2-18-19-6-3-4-7-20(19)24-22(18)21(23)16-8-10-17(11-9-16)26-15-14-25-12-5-13-25/h3-4,6-11,21,24H,2,5,12-15,23H2,1H3/t21-/m1/s1
InChIKeyGCTQFNHDEHMBLJ-OAQYLSRUSA-N
MW349.48 g/mol
LogP3.86
Rot. Bonds7

About (R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine

(R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine (PubChem CID 138644132) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine.

Molecular Properties

Compound Name(R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine
PubChem CID138644132
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine
SMILESCCc1c([C@H](N)c2ccc(OCCN3CCC3)cc2)[nH]c2ccccc12
InChIInChI=1S/C22H27N3O/c1-2-18-19-6-3-4-7-20(19)24-22(18)21(23)16-8-10-17(11-9-16)26-15-14-25-12-5-13-25/h3-4,6-11,21,24H,2,5,12-15,23H2,1H3/t21-/m1/s1
InChIKeyGCTQFNHDEHMBLJ-OAQYLSRUSA-N
XLogP3.86
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine?
The IUPAC name of (R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine (CID 138644132) is (R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine.
What is the SMILES notation for (R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine?
The canonical SMILES for (R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine is CCc1c([C@H](N)c2ccc(OCCN3CCC3)cc2)[nH]c2ccccc12.
What is the InChIKey of (R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine?
The InChIKey is GCTQFNHDEHMBLJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27N3O/c1-2-18-19-6-3-4-7-20(19)24-22(18)21(23)16-8-10-17(11-9-16)26-15-14-25-12-5-13-25/h3-4,6-11,21,24H,2,5,12-15,23H2,1H3/t21-/m1/s1.
What are the key properties of (R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine?
(R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine has a molecular weight of 349.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-(3-ethyl-1H-indol-2-yl)methanamine is sourced from PubChem (CID 138644132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).