N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline

C24H26N2O3 — CID 71490438

IUPACN-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@H](c2ccccc2)[C@@H]2Cc3cc(OC)c(OC)cc3N2)cc1
InChIInChI=1S/C24H26N2O3/c1-27-19-11-9-18(10-12-19)25-24(16-7-5-4-6-8-16)21-13-17-14-22(28-2)23(29-3)15-20(17)26-21/h4-12,14-15,21,24-26H,13H2,1-3H3/t21-,24+/m0/s1
InChIKeyWKLKEXQBSAVBBD-XUZZJYLKSA-N
MW390.48 g/mol
LogP4.90
Rot. Bonds7

About N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline

N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline (PubChem CID 71490438) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline
PubChem CID71490438
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline
SMILESCOc1ccc(N[C@H](c2ccccc2)[C@@H]2Cc3cc(OC)c(OC)cc3N2)cc1
InChIInChI=1S/C24H26N2O3/c1-27-19-11-9-18(10-12-19)25-24(16-7-5-4-6-8-16)21-13-17-14-22(28-2)23(29-3)15-20(17)26-21/h4-12,14-15,21,24-26H,13H2,1-3H3/t21-,24+/m0/s1
InChIKeyWKLKEXQBSAVBBD-XUZZJYLKSA-N
XLogP4.90
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(S)-[(2S)-2,3-dihydro-1H-indol-2-yl]-(furan-2-yl)methyl]-4-methoxyaniline
CID 71490211
2-[(4-methoxyanilino)-phenylmethyl]cycloheptan-1-one
CID 101057458
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
[(E,3S)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-3-phenylprop-1-enyl]-trimethylsilane
CID 135034725
(2R)-2-[(S)-(4-methoxyanilino)-phenylmethyl]-4-methyl-2H-furan-5-one
CID 100993365
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
CID 43765565
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-4-methoxyaniline
CID 11219419
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 43764004
4-[(R)-(4-methoxyanilino)-[(2S)-1-oxo-2,3-dihydro-1-benzothiophen-2-yl]methyl]-N,N-dimethylaniline
CID 102406083

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline?
The IUPAC name of N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline (CID 71490438) is N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline.
What is the SMILES notation for N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline?
The canonical SMILES for N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline is COc1ccc(N[C@H](c2ccccc2)[C@@H]2Cc3cc(OC)c(OC)cc3N2)cc1.
What is the InChIKey of N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline?
The InChIKey is WKLKEXQBSAVBBD-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-27-19-11-9-18(10-12-19)25-24(16-7-5-4-6-8-16)21-13-17-14-22(28-2)23(29-3)15-20(17)26-21/h4-12,14-15,21,24-26H,13H2,1-3H3/t21-,24+/m0/s1.
What are the key properties of N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline?
N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline has a molecular weight of 390.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(2S)-5,6-dimethoxy-2,3-dihydro-1H-indol-2-yl]-phenylmethyl]-4-methoxyaniline is sourced from PubChem (CID 71490438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).