N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride

C14H21ClN2O — CID 132843757

IUPACN-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCCn1cc(CNCCOC)c2ccccc21.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-3-16-11-12(10-15-8-9-17-2)13-6-4-5-7-14(13)16;/h4-7,11,15H,3,8-10H2,1-2H3;1H
InChIKeyZEPCEFXMTDXVEZ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.82
Rot. Bonds6

About N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride

N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride (PubChem CID 132843757) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
PubChem CID132843757
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCCn1cc(CNCCOC)c2ccccc21.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-3-16-11-12(10-15-8-9-17-2)13-6-4-5-7-14(13)16;/h4-7,11,15H,3,8-10H2,1-2H3;1H
InChIKeyZEPCEFXMTDXVEZ-UHFFFAOYSA-N
XLogP2.82
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.82
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-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526179
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
CID 66401335
ethyl 3-[(1-ethylindol-3-yl)methylamino]propanoate
CID 65067184
2-[3-[(3-methoxypropylamino)methyl]indol-1-yl]acetic acid
CID 102535959
ethyl 4-[(1-ethylindol-3-yl)methylamino]butanoate
CID 65072333
2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine
CID 65364901
N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
CID 66408210
N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine
CID 66410177
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
CID 106455254
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride?
The IUPAC name of N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride (CID 132843757) is N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride is CCn1cc(CNCCOC)c2ccccc21.Cl.
What is the InChIKey of N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride?
The InChIKey is ZEPCEFXMTDXVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-3-16-11-12(10-15-8-9-17-2)13-6-4-5-7-14(13)16;/h4-7,11,15H,3,8-10H2,1-2H3;1H.
What are the key properties of N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride?
N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 132843757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).