2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride

C9H13ClN2O — CID 3026147

IUPAC2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride
SMILESC/N=C(\N)Cc1ccc(O)cc1.Cl
InChIInChI=1S/C9H12N2O.ClH/c1-11-9(10)6-7-2-4-8(12)5-3-7;/h2-5,12H,6H2,1H3,(H2,10,11);1H
InChIKeyNDSNSWBZEHGMRO-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.34
Rot. Bonds2

About 2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride

2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride (PubChem CID 3026147) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride
PubChem CID3026147
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride
SMILESC/N=C(\N)Cc1ccc(O)cc1.Cl
InChIInChI=1S/C9H12N2O.ClH/c1-11-9(10)6-7-2-4-8(12)5-3-7;/h2-5,12H,6H2,1H3,(H2,10,11);1H
InChIKeyNDSNSWBZEHGMRO-UHFFFAOYSA-N
XLogP1.34
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.34
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

Tyramine
CID 5610
N-Methyltyramine
CID 9727
Tyramine hydrochloride
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P-Tyramine
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Benzenecarboximidamide, 4-hydroxy-, hydrochloride (1:1)
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N-Methyltyramine hydrochloride
CID 202623
3-[(2,6-Diamino-4,5-dihydropyrimidin-5-yl)methyl]phenol
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4-[(2,6-Diamino-4,5-dihydropyrimidin-5-yl)methyl]-2,6-diiodophenol
CID 44344707
4-[(2,6-Diamino-4,5-dihydropyrimidin-5-yl)methyl]phenol
CID 44344740
4-[(2,6-Diamino-4,5-dihydropyrimidin-5-yl)methyl]-2,6-dimethylphenol
CID 44345042
4-[(1E)-2-(2,3-dihydro-4H,5H,6H-azepin-7-ylamino)-2-azavinyl]phenol
CID 135501986
2,2,2-trichloro-N'-[2-(4-hydroxyphenyl)ethyl]ethanimidamide
CID 12504730

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride?
The IUPAC name of 2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride (CID 3026147) is 2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride?
The canonical SMILES for 2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride is C/N=C(\N)Cc1ccc(O)cc1.Cl.
What is the InChIKey of 2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride?
The InChIKey is NDSNSWBZEHGMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c1-11-9(10)6-7-2-4-8(12)5-3-7;/h2-5,12H,6H2,1H3,(H2,10,11);1H.
What are the key properties of 2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride?
2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N'-methylethanimidamide;hydrochloride is sourced from PubChem (CID 3026147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).