1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine

C33H34N2O2 — CID 175946590

IUPAC1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(-c2cccc(-c3ccc4[nH]c(-c5ccc(OC)c(OC)c5)c(C(C)C)c4c3)c2)c1
InChIInChI=1S/C33H34N2O2/c1-21(2)32-28-18-26(25-11-7-10-24(17-25)23-9-6-8-22(16-23)20-34-3)12-14-29(28)35-33(32)27-13-15-30(36-4)31(19-27)37-5/h6-19,21,34-35H,20H2,1-5H3
InChIKeyKIHNWWURDWDUSI-UHFFFAOYSA-N
MW490.65 g/mol
LogP8.03
Rot. Bonds8

About 1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine

1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine (PubChem CID 175946590) has the molecular formula C33H34N2O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine
PubChem CID175946590
Molecular FormulaC33H34N2O2
Molecular Weight490.65 g/mol
Exact Mass490.26
IUPAC Name1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(-c2cccc(-c3ccc4[nH]c(-c5ccc(OC)c(OC)c5)c(C(C)C)c4c3)c2)c1
InChIInChI=1S/C33H34N2O2/c1-21(2)32-28-18-26(25-11-7-10-24(17-25)23-9-6-8-22(16-23)20-34-3)12-14-29(28)35-33(32)27-13-15-30(36-4)31(19-27)37-5/h6-19,21,34-35H,20H2,1-5H3
InChIKeyKIHNWWURDWDUSI-UHFFFAOYSA-N
XLogP8.03
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 175946593
3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]benzoic acid
CID 154639969
2-(3,4-dimethoxyphenyl)-3-propan-2-yl-5-(1H-pyrrol-3-yl)-1H-indole
CID 150155217
methyl 2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indole-5-carboxylate
CID 154640119
4-[3-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]propyl]morpholine
CID 151018513
2-[4-[[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]methyl]phenoxy]-N-ethylethanamine
CID 160702689
1-[3-(4-methoxy-3-methylphenyl)phenyl]-N-methylmethanamine
CID 61034321
2-[1-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-4-(methylamino)piperidin-4-yl]acetonitrile
CID 150158949
N-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]pyrrolidine-3-carboxamide
CID 151232986
(2S)-2-amino-N-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-2-phenylacetamide
CID 151821417
2-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 134231010
2-[4-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]-1,4-diazepan-1-yl]ethanol
CID 154639938

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine (CID 175946590) is 1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine is CNCc1cccc(-c2cccc(-c3ccc4[nH]c(-c5ccc(OC)c(OC)c5)c(C(C)C)c4c3)c2)c1.
What is the InChIKey of 1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine?
The InChIKey is KIHNWWURDWDUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O2/c1-21(2)32-28-18-26(25-11-7-10-24(17-25)23-9-6-8-22(16-23)20-34-3)12-14-29(28)35-33(32)27-13-15-30(36-4)31(19-27)37-5/h6-19,21,34-35H,20H2,1-5H3.
What are the key properties of 1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine?
1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine has a molecular weight of 490.65 g/mol, XLogP of 8.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]phenyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 175946590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).