N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine

C17H24N2O — CID 115107092

IUPACN-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine
SMILESCNCCc1cc2ccccc2n1CC1CCOCC1
InChIInChI=1S/C17H24N2O/c1-18-9-6-16-12-15-4-2-3-5-17(15)19(16)13-14-7-10-20-11-8-14/h2-5,12,14,18H,6-11,13H2,1H3
InChIKeyTYKQBEYKKAECGX-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.83
Rot. Bonds5

About N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine

N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine (PubChem CID 115107092) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine
PubChem CID115107092
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine
SMILESCNCCc1cc2ccccc2n1CC1CCOCC1
InChIInChI=1S/C17H24N2O/c1-18-9-6-16-12-15-4-2-3-5-17(15)19(16)13-14-7-10-20-11-8-14/h2-5,12,14,18H,6-11,13H2,1H3
InChIKeyTYKQBEYKKAECGX-UHFFFAOYSA-N
XLogP2.83
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine 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

1-[1-(cyclopropylmethyl)indol-2-yl]-N-methylpropan-2-amine
CID 115107082
N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 141304489
2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole
CID 18946915
2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid
CID 115107125
1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 63712640
2-(2-chloroethyl)-1-(oxan-4-ylmethyl)benzimidazole
CID 63713165
2-(2-ethoxyethyl)-1-ethylindole
CID 46738621
1-(cyclopropylmethyl)-2-ethenylindole
CID 138503170
[2-[2-(methylamino)ethyl]phenyl]-(oxan-4-yl)methanone
CID 116613219
1-(cyclopropylmethyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]indole-2-carboxamide
CID 124854159
N-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfanylaniline
CID 143561900
2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine
CID 117196600

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine (CID 115107092) is N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine is CNCCc1cc2ccccc2n1CC1CCOCC1.
What is the InChIKey of N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine?
The InChIKey is TYKQBEYKKAECGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-18-9-6-16-12-15-4-2-3-5-17(15)19(16)13-14-7-10-20-11-8-14/h2-5,12,14,18H,6-11,13H2,1H3.
What are the key properties of N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine?
N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine has a molecular weight of 272.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine is sourced from PubChem (CID 115107092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).