2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide

C16H18N2O2 — CID 107709009

IUPAC2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Oc1ccc(CCO)cc1
InChIInChI=1S/C16H18N2O2/c1-11-3-2-4-14(16(17)18)15(11)20-13-7-5-12(6-8-13)9-10-19/h2-8,19H,9-10H2,1H3,(H3,17,18)
InChIKeyNSFSKAMQLCYMAN-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide

2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide (PubChem CID 107709009) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
PubChem CID107709009
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Oc1ccc(CCO)cc1
InChIInChI=1S/C16H18N2O2/c1-11-3-2-4-14(16(17)18)15(11)20-13-7-5-12(6-8-13)9-10-19/h2-8,19H,9-10H2,1H3,(H3,17,18)
InChIKeyNSFSKAMQLCYMAN-UHFFFAOYSA-N
XLogP2.61
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110587
2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110642
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide
CID 107743296
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
2-butoxy-3-methylbenzenecarboximidamide
CID 107110644
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709002
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107109785
2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708988
2-(4-ethylphenoxy)-3-methylbenzenecarbothioamide
CID 107108780
2-methyl-4-(4-propylphenoxy)benzenecarboximidamide
CID 81276494
2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol
CID 107709663

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide (CID 107709009) is 2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1Oc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide?
The InChIKey is NSFSKAMQLCYMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-3-2-4-14(16(17)18)15(11)20-13-7-5-12(6-8-13)9-10-19/h2-8,19H,9-10H2,1H3,(H3,17,18).
What are the key properties of 2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide?
2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide has a molecular weight of 270.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107709009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).