N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine

C16H22N2O — CID 65162434

IUPACN-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine
SMILESCNCc1cccc2c1ccn2CCC1CCCO1
InChIInChI=1S/C16H22N2O/c1-17-12-13-4-2-6-16-15(13)8-10-18(16)9-7-14-5-3-11-19-14/h2,4,6,8,10,14,17H,3,5,7,9,11-12H2,1H3
InChIKeyFSDDVEHGIINOSS-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.93
Rot. Bonds5

About N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine

N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine (PubChem CID 65162434) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine
PubChem CID65162434
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine
SMILESCNCc1cccc2c1ccn2CCC1CCCO1
InChIInChI=1S/C16H22N2O/c1-17-12-13-4-2-6-16-15(13)8-10-18(16)9-7-14-5-3-11-19-14/h2,4,6,8,10,14,17H,3,5,7,9,11-12H2,1H3
InChIKeyFSDDVEHGIINOSS-UHFFFAOYSA-N
XLogP2.93
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
CID 65165521
N-methyl-2-[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]ethanamine
CID 65165238
4-nitro-1-[2-(oxolan-2-yl)ethyl]indole
CID 116623449
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]ethanamine
CID 65165577
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine
CID 65165632
1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one
CID 82899272
1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027030
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indazol-3-yl]methanamine
CID 65165688
2-[1-[2-(oxolan-2-yl)ethyl]indol-7-yl]ethanamine
CID 102917115
N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine
CID 79229017
N-[[1-[2-(oxolan-2-yl)ethyl]indol-6-yl]methyl]cyclopropanamine
CID 65165692
1-(2-cyclopentylethyl)-4-methylindole
CID 114192720

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine (CID 65162434) is N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine is CNCc1cccc2c1ccn2CCC1CCCO1.
What is the InChIKey of N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine?
The InChIKey is FSDDVEHGIINOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-12-13-4-2-6-16-15(13)8-10-18(16)9-7-14-5-3-11-19-14/h2,4,6,8,10,14,17H,3,5,7,9,11-12H2,1H3.
What are the key properties of N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine?
N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine is sourced from PubChem (CID 65162434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).