N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine

C22H23N3O — CID 23519043

IUPACN-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine
SMILES[C-]#[N+]c1ccc2[nH]cc(C3CC3CNCCc3ccccc3OC)c2c1
InChIInChI=1S/C22H23N3O/c1-23-17-7-8-21-19(12-17)20(14-25-21)18-11-16(18)13-24-10-9-15-5-3-4-6-22(15)26-2/h3-8,12,14,16,18,24-25H,9-11,13H2,2H3
InChIKeyMZLCANPMMRKNPQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.66
Rot. Bonds7

About N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine

N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine (PubChem CID 23519043) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine
PubChem CID23519043
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine
SMILES[C-]#[N+]c1ccc2[nH]cc(C3CC3CNCCc3ccccc3OC)c2c1
InChIInChI=1S/C22H23N3O/c1-23-17-7-8-21-19(12-17)20(14-25-21)18-11-16(18)13-24-10-9-15-5-3-4-6-22(15)26-2/h3-8,12,14,16,18,24-25H,9-11,13H2,2H3
InChIKeyMZLCANPMMRKNPQ-UHFFFAOYSA-N
XLogP4.66
TPSA41.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropan-1-amine
CID 23519053
N-ethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine
CID 23519072
N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 23519034
1-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]-N,N-dimethylmethanamine
CID 23518962
3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile
CID 10155105
N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine
CID 23519079
N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine
CID 22638713
1-[(1S,2S)-2-(5-isocyano-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine
CID 58697553
2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62714428
N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62704571
2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 106259721
4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine (CID 23519043) is N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine is [C-]#[N+]c1ccc2[nH]cc(C3CC3CNCCc3ccccc3OC)c2c1.
What is the InChIKey of N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine?
The InChIKey is MZLCANPMMRKNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-23-17-7-8-21-19(12-17)20(14-25-21)18-11-16(18)13-24-10-9-15-5-3-4-6-22(15)26-2/h3-8,12,14,16,18,24-25H,9-11,13H2,2H3.
What are the key properties of N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine?
N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine has a molecular weight of 345.45 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 23519043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).