methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole

C35H38N2O2 — CID 159072190

IUPACmethane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole
SMILESC.COc1cc(Cn2c(-c3ccc(OCc4ccccc4)cc3)cc3ccccc32)ccc1CN1CCCC1
InChIInChI=1S/C34H34N2O2.CH4/c1-37-34-21-27(13-14-30(34)24-35-19-7-8-20-35)23-36-32-12-6-5-11-29(32)22-33(36)28-15-17-31(18-16-28)38-25-26-9-3-2-4-10-26;/h2-6,9-18,21-22H,7-8,19-20,23-25H2,1H3;1H4
InChIKeyJZUJTNWEHSTMFE-UHFFFAOYSA-N
MW518.70 g/mol
LogP8.18
Rot. Bonds9

About methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole

methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole (PubChem CID 159072190) has the molecular formula C35H38N2O2 and a molecular weight of 518.70 g/mol. Its IUPAC name is methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole.

Molecular Properties

Compound Namemethane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole
PubChem CID159072190
Molecular FormulaC35H38N2O2
Molecular Weight518.70 g/mol
Exact Mass518.29
IUPAC Namemethane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole
SMILESC.COc1cc(Cn2c(-c3ccc(OCc4ccccc4)cc3)cc3ccccc32)ccc1CN1CCCC1
InChIInChI=1S/C34H34N2O2.CH4/c1-37-34-21-27(13-14-30(34)24-35-19-7-8-20-35)23-36-32-12-6-5-11-29(32)22-33(36)28-15-17-31(18-16-28)38-25-26-9-3-2-4-10-26;/h2-6,9-18,21-22H,7-8,19-20,23-25H2,1H3;1H4
InChIKeyJZUJTNWEHSTMFE-UHFFFAOYSA-N
XLogP8.18
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethanol;2-[[2-methoxy-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]indol-1-yl]methyl]phenyl]methoxy]-2-oxoacetic acid
CID 70237299
1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole
CID 22111297
methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate
CID 23159895
1-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
CID 174871895
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 1180094
1-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)pyrrole
CID 174871893
(2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol
CID 1180091
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine
CID 176513537
4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol
CID 58899419

Frequently Asked Questions

What is the IUPAC name of methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole?
The IUPAC name of methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole (CID 159072190) is methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole.
What is the SMILES notation for methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole?
The canonical SMILES for methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole is C.COc1cc(Cn2c(-c3ccc(OCc4ccccc4)cc3)cc3ccccc32)ccc1CN1CCCC1.
What is the InChIKey of methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole?
The InChIKey is JZUJTNWEHSTMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O2.CH4/c1-37-34-21-27(13-14-30(34)24-35-19-7-8-20-35)23-36-32-12-6-5-11-29(32)22-33(36)28-15-17-31(18-16-28)38-25-26-9-3-2-4-10-26;/h2-6,9-18,21-22H,7-8,19-20,23-25H2,1H3;1H4.
What are the key properties of methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole?
methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole has a molecular weight of 518.70 g/mol, XLogP of 8.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole is sourced from PubChem (CID 159072190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).