2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine

C22H24N4O — CID 19624915

IUPAC2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine
SMILESCOc1ccc(CNCCc2c[nH]c3ccccc23)cc1Cn1cccn1
InChIInChI=1S/C22H24N4O/c1-27-22-8-7-17(13-19(22)16-26-12-4-10-25-26)14-23-11-9-18-15-24-21-6-3-2-5-20(18)21/h2-8,10,12-13,15,23-24H,9,11,14,16H2,1H3
InChIKeyUSUARPAMFNZTMT-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.75
Rot. Bonds8

About 2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine

2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 19624915) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine
PubChem CID19624915
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine
SMILESCOc1ccc(CNCCc2c[nH]c3ccccc23)cc1Cn1cccn1
InChIInChI=1S/C22H24N4O/c1-27-22-8-7-17(13-19(22)16-26-12-4-10-25-26)14-23-11-9-18-15-24-21-6-3-2-5-20(18)21/h2-8,10,12-13,15,23-24H,9,11,14,16H2,1H3
InChIKeyUSUARPAMFNZTMT-UHFFFAOYSA-N
XLogP3.75
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216103
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 119106557
2-(1H-indol-3-yl)-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17333202
2-(1H-indol-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17294634
2-(1H-indol-3-yl)-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17206368
2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 2248968
2-(1H-indol-3-yl)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17294280
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 17295573
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine chloride
CID 53351006
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 29226233
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine
CID 119125508

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine (CID 19624915) is 2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine is COc1ccc(CNCCc2c[nH]c3ccccc23)cc1Cn1cccn1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is USUARPAMFNZTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-27-22-8-7-17(13-19(22)16-26-12-4-10-25-26)14-23-11-9-18-15-24-21-6-3-2-5-20(18)21/h2-8,10,12-13,15,23-24H,9,11,14,16H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine?
2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 360.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 19624915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).