2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine

C19H30N2O — CID 169244209

IUPAC2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)C(C)(CCN(C)C)CN2C1CCCC1
InChIInChI=1S/C19H30N2O/c1-19(11-12-20(2)3)14-21(15-7-5-6-8-15)18-10-9-16(22-4)13-17(18)19/h9-10,13,15H,5-8,11-12,14H2,1-4H3
InChIKeyXZRLLIWZENCDCE-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.67
Rot. Bonds5

About 2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine

2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 169244209) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID169244209
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)C(C)(CCN(C)C)CN2C1CCCC1
InChIInChI=1S/C19H30N2O/c1-19(11-12-20(2)3)14-21(15-7-5-6-8-15)18-10-9-16(22-4)13-17(18)19/h9-10,13,15H,5-8,11-12,14H2,1-4H3
InChIKeyXZRLLIWZENCDCE-UHFFFAOYSA-N
XLogP3.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 169244325
1-cyclohexyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 82250371
3a-amino-2-cyclohexyl-7-methoxy-4,8b-dimethyl-1H-pyrrolo[3,4-b]indol-3-one
CID 51055665
(4bS,8aR)-4b-[2-(dimethylamino)ethyl]-3-methoxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol
CID 57247370
(4bR,8aS,9S)-N-ethyl-3-methoxy-N,4b-dimethyl-6,7,8,8a,9,10-hexahydro-5H-phenanthren-9-amine
CID 155632379
2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine
CID 170323800
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651
4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one
CID 132596146
2-[4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine
CID 144978621
2-[(4R)-4-(2-ethyl-5-methoxyphenyl)-1,2-dimethylpiperidin-4-yl]-N,N-dimethylethanamine
CID 144978602
2-[5-(aminomethyl)-8-methoxy-3,4-dihydro-2H-1-benzoxepin-5-yl]-N,N-dimethylethanamine
CID 82248813
2-(4-methoxy-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929436

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine (CID 169244209) is 2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine is COc1ccc2c(c1)C(C)(CCN(C)C)CN2C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is XZRLLIWZENCDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-19(11-12-20(2)3)14-21(15-7-5-6-8-15)18-10-9-16(22-4)13-17(18)19/h9-10,13,15H,5-8,11-12,14H2,1-4H3.
What are the key properties of 2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine?
2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 302.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 169244209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).