1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine

C24H31N3O2 — CID 171324465

IUPAC1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
SMILESCOc1cccc(OC)c1CN1CC(c2cn(C)c3ccccc23)C(N(C)C)C1
InChIInChI=1S/C24H31N3O2/c1-25(2)22-16-27(15-20-23(28-4)11-8-12-24(20)29-5)14-19(22)18-13-26(3)21-10-7-6-9-17(18)21/h6-13,19,22H,14-16H2,1-5H3
InChIKeyILIOPSLBDYWDMN-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.73
Rot. Bonds6

About 1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine

1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine (PubChem CID 171324465) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
PubChem CID171324465
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
SMILESCOc1cccc(OC)c1CN1CC(c2cn(C)c3ccccc23)C(N(C)C)C1
InChIInChI=1S/C24H31N3O2/c1-25(2)22-16-27(15-20-23(28-4)11-8-12-24(20)29-5)14-19(22)18-13-26(3)21-10-7-6-9-17(18)21/h6-13,19,22H,14-16H2,1-5H3
InChIKeyILIOPSLBDYWDMN-UHFFFAOYSA-N
XLogP3.73
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[[(3S,4R)-3-(dimethylamino)-4-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methanol
CID 95854771
4-[[(3S,4R)-3-(dimethylamino)-4-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 95854755
(3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 127021171
1-[(3S,4R)-3-(dimethylamino)-4-(1-methylindol-3-yl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 95854781
[1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine
CID 82622276
1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 70750405
(3S,4R)-1-[(2-chloro-6-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770160
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol
CID 82974216
(5R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-(1-methylindol-3-yl)pyrrolidin-2-one
CID 7345883
5-[(2-chloro-6-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115884014
2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289450
trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289453

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine (CID 171324465) is 1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine is COc1cccc(OC)c1CN1CC(c2cn(C)c3ccccc23)C(N(C)C)C1.
What is the InChIKey of 1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine?
The InChIKey is ILIOPSLBDYWDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-25(2)22-16-27(15-20-23(28-4)11-8-12-24(20)29-5)14-19(22)18-13-26(3)21-10-7-6-9-17(18)21/h6-13,19,22H,14-16H2,1-5H3.
What are the key properties of 1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine?
1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine has a molecular weight of 393.53 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 171324465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).