N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine

C17H24N2O — CID 164640158

IUPACN-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
SMILESCCn1ccc2ccc(CN(C)C[C@H]3CCOC3)cc21
InChIInChI=1S/C17H24N2O/c1-3-19-8-6-16-5-4-14(10-17(16)19)11-18(2)12-15-7-9-20-13-15/h4-6,8,10,15H,3,7,9,11-13H2,1-2H3/t15-/m1/s1
InChIKeyBZYUZSZKGDKEIM-OAHLLOKOSA-N
MW272.39 g/mol
LogP3.13
Rot. Bonds5

About N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine

N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine (PubChem CID 164640158) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
PubChem CID164640158
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
SMILESCCn1ccc2ccc(CN(C)C[C@H]3CCOC3)cc21
InChIInChI=1S/C17H24N2O/c1-3-19-8-6-16-5-4-14(10-17(16)19)11-18(2)12-15-7-9-20-13-15/h4-6,8,10,15H,3,7,9,11-13H2,1-2H3/t15-/m1/s1
InChIKeyBZYUZSZKGDKEIM-OAHLLOKOSA-N
XLogP3.13
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[[methyl(oxolan-3-ylmethyl)amino]methyl]pyrrole-2-carbonitrile
CID 131940545
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine
CID 77095526
N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine
CID 97160402
N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 63705707
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 77083300
2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 107694066
N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 75471009
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-[(3S)-oxolan-3-yl]methanamine
CID 97160391
6-methoxy-1-(oxan-4-ylmethyl)indole
CID 171704295

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine?
The IUPAC name of N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine (CID 164640158) is N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine.
What is the SMILES notation for N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine?
The canonical SMILES for N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine is CCn1ccc2ccc(CN(C)C[C@H]3CCOC3)cc21.
What is the InChIKey of N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine?
The InChIKey is BZYUZSZKGDKEIM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-19-8-6-16-5-4-14(10-17(16)19)11-18(2)12-15-7-9-20-13-15/h4-6,8,10,15H,3,7,9,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine?
N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine has a molecular weight of 272.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine is sourced from PubChem (CID 164640158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).