N-ethoxy-1-(1-methylindol-3-yl)methanamine

C12H16N2O — CID 107236064

IUPACN-ethoxy-1-(1-methylindol-3-yl)methanamine
SMILESCCONCc1cn(C)c2ccccc12
InChIInChI=1S/C12H16N2O/c1-3-15-13-8-10-9-14(2)12-7-5-4-6-11(10)12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyIMURGMGFXGCWLD-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.22
Rot. Bonds4

About N-ethoxy-1-(1-methylindol-3-yl)methanamine

N-ethoxy-1-(1-methylindol-3-yl)methanamine (PubChem CID 107236064) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-ethoxy-1-(1-methylindol-3-yl)methanamine.

Molecular Properties

Compound NameN-ethoxy-1-(1-methylindol-3-yl)methanamine
PubChem CID107236064
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-ethoxy-1-(1-methylindol-3-yl)methanamine
SMILESCCONCc1cn(C)c2ccccc12
InChIInChI=1S/C12H16N2O/c1-3-15-13-8-10-9-14(2)12-7-5-4-6-11(10)12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyIMURGMGFXGCWLD-UHFFFAOYSA-N
XLogP2.22
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
CID 107236114
3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine
CID 107235802
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
3-(methoxymethyl)-1-methylindole
CID 18711466
ethyl 4-[(1-methylindol-3-yl)methylamino]butanoate
CID 65072383
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 107234778
3-[(2-ethylphenyl)methyl]-1-methylindole
CID 162400454
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107235630
2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
CID 115222251
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(1-methylindol-3-yl)methanamine?
The IUPAC name of N-ethoxy-1-(1-methylindol-3-yl)methanamine (CID 107236064) is N-ethoxy-1-(1-methylindol-3-yl)methanamine.
What is the SMILES notation for N-ethoxy-1-(1-methylindol-3-yl)methanamine?
The canonical SMILES for N-ethoxy-1-(1-methylindol-3-yl)methanamine is CCONCc1cn(C)c2ccccc12.
What is the InChIKey of N-ethoxy-1-(1-methylindol-3-yl)methanamine?
The InChIKey is IMURGMGFXGCWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-15-13-8-10-9-14(2)12-7-5-4-6-11(10)12/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of N-ethoxy-1-(1-methylindol-3-yl)methanamine?
N-ethoxy-1-(1-methylindol-3-yl)methanamine has a molecular weight of 204.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(1-methylindol-3-yl)methanamine is sourced from PubChem (CID 107236064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).