2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide

C16H17ClN2O2 — CID 151682552

IUPAC2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide
SMILES[H]/N=C(\N)C(O)c1cc(Cl)ccc1COc1ccccc1C
InChIInChI=1S/C16H17ClN2O2/c1-10-4-2-3-5-14(10)21-9-11-6-7-12(17)8-13(11)15(20)16(18)19/h2-8,15,20H,9H2,1H3,(H3,18,19)
InChIKeyRAVPTMGBRWODEL-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.20
Rot. Bonds5

About 2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide

2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide (PubChem CID 151682552) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide
PubChem CID151682552
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide
SMILES[H]/N=C(\N)C(O)c1cc(Cl)ccc1COc1ccccc1C
InChIInChI=1S/C16H17ClN2O2/c1-10-4-2-3-5-14(10)21-9-11-6-7-12(17)8-13(11)15(20)16(18)19/h2-8,15,20H,9H2,1H3,(H3,18,19)
InChIKeyRAVPTMGBRWODEL-UHFFFAOYSA-N
XLogP3.20
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.20
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

4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483691
1-[4-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-iminoethanone
CID 123319892
5-chloro-2-[(2-methylphenoxy)methyl]benzonitrile
CID 150348416
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092
3-chloro-4-[(2,3-dimethylphenoxy)methyl]benzenecarboximidamide
CID 102668113
3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657180
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117175045
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide?
The IUPAC name of 2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide (CID 151682552) is 2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide.
What is the SMILES notation for 2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide?
The canonical SMILES for 2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide is [H]/N=C(\N)C(O)c1cc(Cl)ccc1COc1ccccc1C.
What is the InChIKey of 2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide?
The InChIKey is RAVPTMGBRWODEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-4-2-3-5-14(10)21-9-11-6-7-12(17)8-13(11)15(20)16(18)19/h2-8,15,20H,9H2,1H3,(H3,18,19).
What are the key properties of 2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide?
2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide has a molecular weight of 304.78 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(2-methylphenoxy)methyl]phenyl]-2-hydroxyethanimidamide is sourced from PubChem (CID 151682552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).