N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline

C23H22N2O — CID 57379324

IUPACN-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline
SMILESCOc1ccc2[nH]cc(C(c3ccccc3)N(C)c3ccccc3)c2c1
InChIInChI=1S/C23H22N2O/c1-25(18-11-7-4-8-12-18)23(17-9-5-3-6-10-17)21-16-24-22-14-13-19(26-2)15-20(21)22/h3-16,23-24H,1-2H3
InChIKeyRTCNGOKPKZLNFE-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.40
Rot. Bonds5

About N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline

N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline (PubChem CID 57379324) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline
PubChem CID57379324
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC NameN-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline
SMILESCOc1ccc2[nH]cc(C(c3ccccc3)N(C)c3ccccc3)c2c1
InChIInChI=1S/C23H22N2O/c1-25(18-11-7-4-8-12-18)23(17-9-5-3-6-10-17)21-16-24-22-14-13-19(26-2)15-20(21)22/h3-16,23-24H,1-2H3
InChIKeyRTCNGOKPKZLNFE-UHFFFAOYSA-N
XLogP5.40
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine
CID 110453531
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-N-methylaniline
CID 57379323
5-methoxy-3-[(1R)-2-nitro-1-phenylethyl]-1H-indole
CID 93117865
5-methoxy-3-[(1S)-2-nitro-1-phenylethyl]-1H-indole
CID 93117864
N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
CID 141133880
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
2-(dimethylamino)-2-(5-methoxy-1H-indol-3-yl)ethanethioamide
CID 84749835
(2R)-3,3,3-trifluoro-2-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 98042413
3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
CID 72701742
methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate
CID 19796739

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline?
The IUPAC name of N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline (CID 57379324) is N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline.
What is the SMILES notation for N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline?
The canonical SMILES for N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline is COc1ccc2[nH]cc(C(c3ccccc3)N(C)c3ccccc3)c2c1.
What is the InChIKey of N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline?
The InChIKey is RTCNGOKPKZLNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-25(18-11-7-4-8-12-18)23(17-9-5-3-6-10-17)21-16-24-22-14-13-19(26-2)15-20(21)22/h3-16,23-24H,1-2H3.
What are the key properties of N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline?
N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline has a molecular weight of 342.44 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline is sourced from PubChem (CID 57379324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).