4-phenylmethoxy-N'-propylbenzenecarboximidamide

C17H20N2O — CID 57153315

IUPAC4-phenylmethoxy-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-12-19-17(18)15-8-10-16(11-9-15)20-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H2,18,19)
InChIKeyFQQBSXRCRGLWJD-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.38
Rot. Bonds6

About 4-phenylmethoxy-N'-propylbenzenecarboximidamide

4-phenylmethoxy-N'-propylbenzenecarboximidamide (PubChem CID 57153315) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-phenylmethoxy-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound Name4-phenylmethoxy-N'-propylbenzenecarboximidamide
PubChem CID57153315
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-phenylmethoxy-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-12-19-17(18)15-8-10-16(11-9-15)20-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H2,18,19)
InChIKeyFQQBSXRCRGLWJD-UHFFFAOYSA-N
XLogP3.38
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
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

4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580
1-phenylmethoxy-4-propoxybenzene
CID 10728874
4-phenylmethoxyaniline
CID 159966727
1-(3-methylbut-2-en-2-yl)-4-phenylmethoxybenzene
CID 174702453
4-phenylmethoxybenzoic acid
CID 68896574
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
4-phenylmethoxy-N-propylbenzamide
CID 4958389
acetamido 4-phenylmethoxybenzoate
CID 174287466
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
2-[(Z)-[2-amino-1-(4-phenylmethoxyphenyl)propylidene]amino]guanidine
CID 178024710
Ethyl 3-[4-(benzyloxy)phenyl]-2-methyl-3-oxopropanoate lithium salt
CID 69109805
ethane;molecular hydrogen;4-phenylmethoxyaniline
CID 142075027

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N'-propylbenzenecarboximidamide?
The IUPAC name of 4-phenylmethoxy-N'-propylbenzenecarboximidamide (CID 57153315) is 4-phenylmethoxy-N'-propylbenzenecarboximidamide.
What is the SMILES notation for 4-phenylmethoxy-N'-propylbenzenecarboximidamide?
The canonical SMILES for 4-phenylmethoxy-N'-propylbenzenecarboximidamide is CCC/N=C(\N)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxy-N'-propylbenzenecarboximidamide?
The InChIKey is FQQBSXRCRGLWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-12-19-17(18)15-8-10-16(11-9-15)20-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H2,18,19).
What are the key properties of 4-phenylmethoxy-N'-propylbenzenecarboximidamide?
4-phenylmethoxy-N'-propylbenzenecarboximidamide has a molecular weight of 268.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 57153315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).