(2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol

C24H30N2O2 — CID 7064426

IUPAC(2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCCCCC2)cc1
InChIInChI=1S/C24H30N2O2/c1-28-22-12-10-19(11-13-22)24-16-20-8-4-5-9-23(20)26(24)18-21(27)17-25-14-6-2-3-7-15-25/h4-5,8-13,16,21,27H,2-3,6-7,14-15,17-18H2,1H3/t21-/m1/s1
InChIKeyJMGMABJPRZVFIN-OAQYLSRUSA-N
MW378.52 g/mol
LogP4.55
Rot. Bonds6

About (2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol

(2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol (PubChem CID 7064426) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
PubChem CID7064426
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCCCCC2)cc1
InChIInChI=1S/C24H30N2O2/c1-28-22-12-10-19(11-13-22)24-16-20-8-4-5-9-23(20)26(24)18-21(27)17-25-14-6-2-3-7-15-25/h4-5,8-13,16,21,27H,2-3,6-7,14-15,17-18H2,1H3/t21-/m1/s1
InChIKeyJMGMABJPRZVFIN-OAQYLSRUSA-N
XLogP4.55
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol
CID 1180091
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 1180094
(2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6963876
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 51465176
1-(methoxymethyl)-2-(4-methoxyphenyl)indole
CID 177434796
1-(2-nitroindol-1-yl)-3-piperidin-1-ylpropan-2-ol
CID 101042918
5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole
CID 15925641
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole
CID 159072190
1-[4-[(4-methoxyphenyl)-phenanthren-9-ylmethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 6482524

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol (CID 7064426) is (2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol is COc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCCCCC2)cc1.
What is the InChIKey of (2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
The InChIKey is JMGMABJPRZVFIN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-22-12-10-19(11-13-22)24-16-20-8-4-5-9-23(20)26(24)18-21(27)17-25-14-6-2-3-7-15-25/h4-5,8-13,16,21,27H,2-3,6-7,14-15,17-18H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol?
(2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol has a molecular weight of 378.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol is sourced from PubChem (CID 7064426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).