5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol

C17H26N2O2 — CID 66401335

IUPAC5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
SMILESCOCCNCc1cn(CCCCCO)c2ccccc12
InChIInChI=1S/C17H26N2O2/c1-21-12-9-18-13-15-14-19(10-5-2-6-11-20)17-8-4-3-7-16(15)17/h3-4,7-8,14,18,20H,2,5-6,9-13H2,1H3
InChIKeyGHYDUJYRNLDEPW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.54
Rot. Bonds10

About 5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol

5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol (PubChem CID 66401335) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
PubChem CID66401335
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
SMILESCOCCNCc1cn(CCCCCO)c2ccccc12
InChIInChI=1S/C17H26N2O2/c1-21-12-9-18-13-15-14-19(10-5-2-6-11-20)17-8-4-3-7-16(15)17/h3-4,7-8,14,18,20H,2,5-6,9-13H2,1H3
InChIKeyGHYDUJYRNLDEPW-UHFFFAOYSA-N
XLogP2.54
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
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-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526179
N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843757
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
2-[3-[(3-methoxypropylamino)methyl]indol-1-yl]acetic acid
CID 102535959
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
4-(3-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62803414
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
5-[3-(aminomethyl)indol-1-yl]pentan-1-ol
CID 66410117
3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
CID 104649927
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol?
The IUPAC name of 5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol (CID 66401335) is 5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol is COCCNCc1cn(CCCCCO)c2ccccc12.
What is the InChIKey of 5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol?
The InChIKey is GHYDUJYRNLDEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-12-9-18-13-15-14-19(10-5-2-6-11-20)17-8-4-3-7-16(15)17/h3-4,7-8,14,18,20H,2,5-6,9-13H2,1H3.
What are the key properties of 5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol?
5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol has a molecular weight of 290.41 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol is sourced from PubChem (CID 66401335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).