N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

C19H30N2O — CID 74405227

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOc1ccc2[nH]cc(CCN(CC(C)C)CC(C)C)c2c1
InChIInChI=1S/C19H30N2O/c1-14(2)12-21(13-15(3)4)9-8-16-11-20-19-7-6-17(22-5)10-18(16)19/h6-7,10-11,14-15,20H,8-9,12-13H2,1-5H3
InChIKeyLAWIFDHBLQDKEA-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.33
Rot. Bonds8

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 74405227) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID74405227
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCOc1ccc2[nH]cc(CCN(CC(C)C)CC(C)C)c2c1
InChIInChI=1S/C19H30N2O/c1-14(2)12-21(13-15(3)4)9-8-16-11-20-19-7-6-17(22-5)10-18(16)19/h6-7,10-11,14-15,20H,8-9,12-13H2,1-5H3
InChIKeyLAWIFDHBLQDKEA-UHFFFAOYSA-N
XLogP4.33
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrate;hydrochloride
CID 71311787
2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
CID 172624963
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 22144617
N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
CID 123587911
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
CID 19042892
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
CID 174722109

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 74405227) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is COc1ccc2[nH]cc(CCN(CC(C)C)CC(C)C)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is LAWIFDHBLQDKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14(2)12-21(13-15(3)4)9-8-16-11-20-19-7-6-17(22-5)10-18(16)19/h6-7,10-11,14-15,20H,8-9,12-13H2,1-5H3.
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 302.46 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 74405227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).