N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine

C19H32N2O — CID 169244325

IUPACN-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1ccc2c(c1)[C@](C)(CCN(C(C)C)C(C)C)CN2C
InChIInChI=1S/C19H32N2O/c1-14(2)21(15(3)4)11-10-19(5)13-20(6)18-9-8-16(22-7)12-17(18)19/h8-9,12,14-15H,10-11,13H2,1-7H3/t19-/m1/s1
InChIKeyKUJVYXBTEBAZES-LJQANCHMSA-N
MW304.48 g/mol
LogP3.91
Rot. Bonds6

About N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 169244325) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID169244325
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1ccc2c(c1)[C@](C)(CCN(C(C)C)C(C)C)CN2C
InChIInChI=1S/C19H32N2O/c1-14(2)21(15(3)4)11-10-19(5)13-20(6)18-9-8-16(22-7)12-17(18)19/h8-9,12,14-15H,10-11,13H2,1-7H3/t19-/m1/s1
InChIKeyKUJVYXBTEBAZES-LJQANCHMSA-N
XLogP3.91
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-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

2-(1-cyclopentyl-5-methoxy-3-methyl-2H-indol-3-yl)-N,N-dimethylethanamine
CID 169244209
(3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol
CID 162342798
ethyl 3-(2,2-dimethylpropyl)-5-methoxy-1-methyl-2H-indole-3-carboxylate
CID 101274716
5-methoxy-3,3-dimethyl-1-(2-phenylethyl)-2H-indole
CID 21328314
4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one
CID 132596146
(1S,9R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 45097545
2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine]
CID 102495613
(8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 12518610
7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]
CID 84627140
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016
2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde
CID 24950980

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine (CID 169244325) is N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine is COc1ccc2c(c1)[C@](C)(CCN(C(C)C)C(C)C)CN2C.
What is the InChIKey of N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is KUJVYXBTEBAZES-LJQANCHMSA-N. The full InChI is InChI=1S/C19H32N2O/c1-14(2)21(15(3)4)11-10-19(5)13-20(6)18-9-8-16(22-7)12-17(18)19/h8-9,12,14-15H,10-11,13H2,1-7H3/t19-/m1/s1.
What are the key properties of N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 304.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-5-methoxy-1,3-dimethyl-2H-indol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 169244325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).