N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine

C18H20N2O2 — CID 90671566

IUPACN-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine
SMILESCOc1cc(OC)cc(N(C)c2ccc3c(ccn3C)c2)c1
InChIInChI=1S/C18H20N2O2/c1-19-8-7-13-9-14(5-6-18(13)19)20(2)15-10-16(21-3)12-17(11-15)22-4/h5-12H,1-4H3
InChIKeyVABZGZSMQXYONE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.96
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine

N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine (PubChem CID 90671566) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine
PubChem CID90671566
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine
SMILESCOc1cc(OC)cc(N(C)c2ccc3c(ccn3C)c2)c1
InChIInChI=1S/C18H20N2O2/c1-19-8-7-13-9-14(5-6-18(13)19)20(2)15-10-16(21-3)12-17(11-15)22-4/h5-12H,1-4H3
InChIKeyVABZGZSMQXYONE-UHFFFAOYSA-N
XLogP3.96
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine (CID 90671566) is N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine is COc1cc(OC)cc(N(C)c2ccc3c(ccn3C)c2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine?
The InChIKey is VABZGZSMQXYONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-19-8-7-13-9-14(5-6-18(13)19)20(2)15-10-16(21-3)12-17(11-15)22-4/h5-12H,1-4H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine?
N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine has a molecular weight of 296.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-N,1-dimethylindol-5-amine is sourced from PubChem (CID 90671566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).