N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide

C16H18N2O — CID 129113228

IUPACN-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide
SMILESC/N=C(/Cc1ccc(O)cc1)NCc1ccccc1
InChIInChI=1S/C16H18N2O/c1-17-16(11-13-7-9-15(19)10-8-13)18-12-14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3,(H,17,18)
InChIKeyMQJSVKYJYUSHLZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.75
Rot. Bonds4

About N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide

N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide (PubChem CID 129113228) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide
PubChem CID129113228
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide
SMILESC/N=C(/Cc1ccc(O)cc1)NCc1ccccc1
InChIInChI=1S/C16H18N2O/c1-17-16(11-13-7-9-15(19)10-8-13)18-12-14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3,(H,17,18)
InChIKeyMQJSVKYJYUSHLZ-UHFFFAOYSA-N
XLogP2.75
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.75
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

N-amino-N'-methyl-2-phenylethanimidamide
CID 15751724
1-benzyl-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 110953592
2-benzyl-1-ethyl-3-[(4-hydroxyphenyl)methyl]guanidine
CID 110953698
1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine
CID 110954316
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 9061481
1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine
CID 110952320
N-[(4-methylphenyl)methyl]-2-phenylethanethioamide
CID 102012463
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 155540629
1-benzyl-3-[(2-chlorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 110953529
2-methyl-1-(2-methylsulfanylethyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111344812
4-(benzylamino)phenol;hydrochloride
CID 16738613

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide?
The IUPAC name of N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide (CID 129113228) is N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide.
What is the SMILES notation for N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide?
The canonical SMILES for N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide is C/N=C(/Cc1ccc(O)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide?
The InChIKey is MQJSVKYJYUSHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17-16(11-13-7-9-15(19)10-8-13)18-12-14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3,(H,17,18).
What are the key properties of N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide?
N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide has a molecular weight of 254.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide is sourced from PubChem (CID 129113228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).