N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide

C19H21N3O — CID 135248329

IUPACN-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide
SMILESC/N=C/N(CCc1c[nH]c2ccccc12)Cc1ccc(O)cc1
InChIInChI=1S/C19H21N3O/c1-20-14-22(13-15-6-8-17(23)9-7-15)11-10-16-12-21-19-5-3-2-4-18(16)19/h2-9,12,14,21,23H,10-11,13H2,1H3/b20-14+
InChIKeyPRKBNGSMPPFZIG-XSFVSMFZSA-N
MW307.40 g/mol
LogP3.58
Rot. Bonds6

About N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide

N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide (PubChem CID 135248329) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide
PubChem CID135248329
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide
SMILESC/N=C/N(CCc1c[nH]c2ccccc12)Cc1ccc(O)cc1
InChIInChI=1S/C19H21N3O/c1-20-14-22(13-15-6-8-17(23)9-7-15)11-10-16-12-21-19-5-3-2-4-18(16)19/h2-9,12,14,21,23H,10-11,13H2,1H3/b20-14+
InChIKeyPRKBNGSMPPFZIG-XSFVSMFZSA-N
XLogP3.58
TPSA51.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-methylethanamine;4-[2-(methylamino)ethyl]phenol
CID 143831830
2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 59737412
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
3-[4-[[hydroxy-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enal
CID 173170317
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
N-benzyl-2-(1H-indol-3-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 138903568
2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 53494675
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111968196
N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide (CID 135248329) is N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide is C/N=C/N(CCc1c[nH]c2ccccc12)Cc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide?
The InChIKey is PRKBNGSMPPFZIG-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H21N3O/c1-20-14-22(13-15-6-8-17(23)9-7-15)11-10-16-12-21-19-5-3-2-4-18(16)19/h2-9,12,14,21,23H,10-11,13H2,1H3/b20-14+.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide?
N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide has a molecular weight of 307.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-N'-methylmethanimidamide is sourced from PubChem (CID 135248329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).