4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide

C17H20N2O2 — CID 24700707

IUPAC4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2ccccc2OCCC)cc1
InChIInChI=1S/C17H20N2O2/c1-2-11-20-15-5-3-4-6-16(15)21-12-13-7-9-14(10-8-13)17(18)19/h3-10H,2,11-12H2,1H3,(H3,18,19)
InChIKeyRMBJWXMPIZQAKW-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.34
Rot. Bonds7

About 4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide

4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide (PubChem CID 24700707) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide
PubChem CID24700707
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2ccccc2OCCC)cc1
InChIInChI=1S/C17H20N2O2/c1-2-11-20-15-5-3-4-6-16(15)21-12-13-7-9-14(10-8-13)17(18)19/h3-10H,2,11-12H2,1H3,(H3,18,19)
InChIKeyRMBJWXMPIZQAKW-UHFFFAOYSA-N
XLogP3.34
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
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-[5-(2-phenylmethoxyphenoxy)pentoxy]benzenecarboximidamide
CID 19794887
[4-[(2-propoxyphenoxy)methyl]phenyl]methanol
CID 115969538
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
2-(2-propoxyphenoxy)ethanimidamide
CID 24701744
4-[2-(2-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61300207
4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
CID 116689241
methyl 2-[2-[(4-carbamimidoylphenyl)methoxy]phenyl]benzoate
CID 22626508
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-(quinolin-8-yloxymethyl)benzenecarboximidamide
CID 28825198
4-(hexoxymethyl)benzenecarboximidamide
CID 29003065
4-[2-(2-ethylphenoxy)ethoxy]benzenecarboximidamide
CID 61300591
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide?
The IUPAC name of 4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide (CID 24700707) is 4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for 4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(COc2ccccc2OCCC)cc1.
What is the InChIKey of 4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide?
The InChIKey is RMBJWXMPIZQAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-11-20-15-5-3-4-6-16(15)21-12-13-7-9-14(10-8-13)17(18)19/h3-10H,2,11-12H2,1H3,(H3,18,19).
What are the key properties of 4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide?
4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide has a molecular weight of 284.36 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 24700707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).