N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline

C20H20N2O2 — CID 71490211

IUPACN-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@H](c2ccco2)[C@@H]2Cc3ccccc3N2)cc1
InChIInChI=1S/C20H20N2O2/c1-23-16-10-8-15(9-11-16)21-20(19-7-4-12-24-19)18-13-14-5-2-3-6-17(14)22-18/h2-12,18,20-22H,13H2,1H3/t18-,20-/m0/s1
InChIKeyBGLHRSIRCWTDCN-ICSRJNTNSA-N
MW320.39 g/mol
LogP4.48
Rot. Bonds5

About N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline

N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline (PubChem CID 71490211) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline
PubChem CID71490211
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@H](c2ccco2)[C@@H]2Cc3ccccc3N2)cc1
InChIInChI=1S/C20H20N2O2/c1-23-16-10-8-15(9-11-16)21-20(19-7-4-12-24-19)18-13-14-5-2-3-6-17(14)22-18/h2-12,18,20-22H,13H2,1H3/t18-,20-/m0/s1
InChIKeyBGLHRSIRCWTDCN-ICSRJNTNSA-N
XLogP4.48
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline
CID 71490438
(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403675
N-[(S)-diphenylphosphoryl(furan-2-yl)methyl]-4-methoxyaniline
CID 98528394
(2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline
CID 71606353
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
N-(difluoromethyl)-4-methoxyaniline
CID 118609343
2-[furan-2-yl-(4-methoxyanilino)methyl]-4,4-dimethyl-3-phenylcyclobut-2-en-1-one
CID 101489127
N-[2,3-dihydro-1H-inden-2-yl(furan-2-yl)methyl]ethanamine
CID 65411125
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
N-[(1R,2R,3R)-3-(furan-2-yl)-2-nitro-1-phenylpentyl]-4-methoxyaniline
CID 53231596
4-[(R)-(4-methoxyanilino)-[(2S)-1-oxo-2,3-dihydro-1-benzothiophen-2-yl]methyl]-N,N-dimethylaniline
CID 102406083
(5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one
CID 797847

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline?
The IUPAC name of N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline (CID 71490211) is N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline.
What is the SMILES notation for N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline?
The canonical SMILES for N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline is COc1ccc(N[C@H](c2ccco2)[C@@H]2Cc3ccccc3N2)cc1.
What is the InChIKey of N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline?
The InChIKey is BGLHRSIRCWTDCN-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-23-16-10-8-15(9-11-16)21-20(19-7-4-12-24-19)18-13-14-5-2-3-6-17(14)22-18/h2-12,18,20-22H,13H2,1H3/t18-,20-/m0/s1.
What are the key properties of N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline?
N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline has a molecular weight of 320.39 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline is sourced from PubChem (CID 71490211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).