5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline

C21H20N2O — CID 89209144

IUPAC5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline
SMILESNc1cc(COc2ccc3c(c2)CCN3)ccc1-c1ccccc1
InChIInChI=1S/C21H20N2O/c22-20-12-15(6-8-19(20)16-4-2-1-3-5-16)14-24-18-7-9-21-17(13-18)10-11-23-21/h1-9,12-13,23H,10-11,14,22H2
InChIKeyZGIMLEVQYMICRY-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.48
Rot. Bonds4

About 5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline

5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline (PubChem CID 89209144) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline
PubChem CID89209144
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline
SMILESNc1cc(COc2ccc3c(c2)CCN3)ccc1-c1ccccc1
InChIInChI=1S/C21H20N2O/c22-20-12-15(6-8-19(20)16-4-2-1-3-5-16)14-24-18-7-9-21-17(13-18)10-11-23-21/h1-9,12-13,23H,10-11,14,22H2
InChIKeyZGIMLEVQYMICRY-UHFFFAOYSA-N
XLogP4.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline with MolForge

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

Launch Full Analysis

Related Compounds

4-(2,3-dihydro-1H-indol-5-ylmethoxy)phenol
CID 115103984
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
4-(2-amino-4-phenylmethoxyphenyl)benzonitrile
CID 172674866
tert-butyl 5-[[4-phenyl-3-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydroindole-1-carboxylate;5-[[4-phenyl-3-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-indole;hydrochloride
CID 158449927
5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole
CID 115103966
5-benzyl-2,3-dihydro-1H-indole
CID 19042869
6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115557423
6-[(3,4-difluorophenyl)methoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 69038466
2-phenyl-5-phenylmethoxyphenol
CID 123808909
5-(chloromethyl)-2-phenylaniline
CID 89208885
O-(2,3-dihydro-1H-indol-5-yl) benzenecarbothioate
CID 59131718
5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole
CID 90054251

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline?
The IUPAC name of 5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline (CID 89209144) is 5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline is Nc1cc(COc2ccc3c(c2)CCN3)ccc1-c1ccccc1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline?
The InChIKey is ZGIMLEVQYMICRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c22-20-12-15(6-8-19(20)16-4-2-1-3-5-16)14-24-18-7-9-21-17(13-18)10-11-23-21/h1-9,12-13,23H,10-11,14,22H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline?
5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline has a molecular weight of 316.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline is sourced from PubChem (CID 89209144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).