2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride

C24H23ClN6O — CID 132948588

IUPAC2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
SMILESCl.c1ccc(-n2nnnc2Oc2ccc(CNCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C24H22N6O.ClH/c1-2-6-20(7-3-1)30-24(27-28-29-30)31-21-12-10-18(11-13-21)16-25-15-14-19-17-26-23-9-5-4-8-22(19)23;/h1-13,17,25-26H,14-16H2;1H
InChIKeyYDEGCHBJBMISNV-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.69
Rot. Bonds8

About 2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride

2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride (PubChem CID 132948588) has the molecular formula C24H23ClN6O and a molecular weight of 446.94 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
PubChem CID132948588
Molecular FormulaC24H23ClN6O
Molecular Weight446.94 g/mol
Exact Mass446.16
IUPAC Name2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
SMILESCl.c1ccc(-n2nnnc2Oc2ccc(CNCCc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C24H22N6O.ClH/c1-2-6-20(7-3-1)30-24(27-28-29-30)31-21-12-10-18(11-13-21)16-25-15-14-19-17-26-23-9-5-4-8-22(19)23;/h1-13,17,25-26H,14-16H2;1H
InChIKeyYDEGCHBJBMISNV-UHFFFAOYSA-N
XLogP4.69
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17206368
2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 52991851
3-methoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride
CID 132902394
3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride
CID 132904791
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
2-(4-methoxyphenyl)-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17212453
2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17054412
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17054413
(E)-3-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enal
CID 89259735
2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295021
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride (CID 132948588) is 2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride is Cl.c1ccc(-n2nnnc2Oc2ccc(CNCCc3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride?
The InChIKey is YDEGCHBJBMISNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O.ClH/c1-2-6-20(7-3-1)30-24(27-28-29-30)31-21-12-10-18(11-13-21)16-25-15-14-19-17-26-23-9-5-4-8-22(19)23;/h1-13,17,25-26H,14-16H2;1H.
What are the key properties of 2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride?
2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride has a molecular weight of 446.94 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 132948588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).