3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine

C16H24N2O — CID 94074135

IUPAC3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
SMILESCCCn1cc(CNCCCOC)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-3-10-18-13-14(12-17-9-6-11-19-2)15-7-4-5-8-16(15)18/h4-5,7-8,13,17H,3,6,9-12H2,1-2H3
InChIKeyWGICTGRZGRGBSD-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.18
Rot. Bonds8

About 3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine

3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine (PubChem CID 94074135) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
PubChem CID94074135
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
SMILESCCCn1cc(CNCCCOC)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-3-10-18-13-14(12-17-9-6-11-19-2)15-7-4-5-8-16(15)18/h4-5,7-8,13,17H,3,6,9-12H2,1-2H3
InChIKeyWGICTGRZGRGBSD-UHFFFAOYSA-N
XLogP3.18
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
2-[3-[(3-methoxypropylamino)methyl]indol-1-yl]acetic acid
CID 102535959
N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843757
3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526179
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
CID 66401335
2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
CID 124804470
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960
N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine
CID 66410177
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027513

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine (CID 94074135) is 3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine is CCCn1cc(CNCCCOC)c2ccccc21.
What is the InChIKey of 3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine?
The InChIKey is WGICTGRZGRGBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-10-18-13-14(12-17-9-6-11-19-2)15-7-4-5-8-16(15)18/h4-5,7-8,13,17H,3,6,9-12H2,1-2H3.
What are the key properties of 3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine?
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 94074135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).