3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine

C17H27N3O — CID 114526179

IUPAC3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCOCCNCc1cn(CCCN(C)C)c2ccccc12
InChIInChI=1S/C17H27N3O/c1-19(2)10-6-11-20-14-15(13-18-9-12-21-3)16-7-4-5-8-17(16)20/h4-5,7-8,14,18H,6,9-13H2,1-3H3
InChIKeyMTDNSIRXORMQBM-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.33
Rot. Bonds9

About 3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine

3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 114526179) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID114526179
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCOCCNCc1cn(CCCN(C)C)c2ccccc12
InChIInChI=1S/C17H27N3O/c1-19(2)10-6-11-20-14-15(13-18-9-12-21-3)16-7-4-5-8-17(16)20/h4-5,7-8,14,18H,6,9-13H2,1-3H3
InChIKeyMTDNSIRXORMQBM-UHFFFAOYSA-N
XLogP2.33
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
CID 66401335
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960
N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine
CID 71546964
N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843757
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
4-(3-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62803414
2-[3-[(3-methoxypropylamino)methyl]indol-1-yl]acetic acid
CID 102535959
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
CID 66401921
1-[3-(dimethylamino)propyl]indol-3-amine
CID 70997307

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine (CID 114526179) is 3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine is COCCNCc1cn(CCCN(C)C)c2ccccc12.
What is the InChIKey of 3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is MTDNSIRXORMQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(2)10-6-11-20-14-15(13-18-9-12-21-3)16-7-4-5-8-17(16)20/h4-5,7-8,14,18H,6,9-13H2,1-3H3.
What are the key properties of 3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine?
3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114526179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).