3-(4-benzylphenoxy)propanimidamide

C16H18N2O — CID 62274046

IUPAC3-(4-benzylphenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c17-16(18)10-11-19-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H3,17,18)
InChIKeyAJAQNPMGHFAMQM-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.98
Rot. Bonds6

About 3-(4-benzylphenoxy)propanimidamide

3-(4-benzylphenoxy)propanimidamide (PubChem CID 62274046) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(4-benzylphenoxy)propanimidamide.

Molecular Properties

Compound Name3-(4-benzylphenoxy)propanimidamide
PubChem CID62274046
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-(4-benzylphenoxy)propanimidamide
SMILES[H]/N=C(\N)CCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c17-16(18)10-11-19-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H3,17,18)
InChIKeyAJAQNPMGHFAMQM-UHFFFAOYSA-N
XLogP2.98
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.98
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

3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide
CID 67069769
3-(2-methoxyphenoxy)propanimidamide
CID 24698290
4-(4-ethoxyphenoxy)butanimidamide
CID 24707603
2-(2-phenoxyethoxy)ethanimidamide
CID 24689502
(4-benzylphenoxy)methanamine
CID 67208849
2-(4-benzylphenoxy)propanimidamide
CID 55054330
2-(4-phenoxyphenoxy)ethanimidamide
CID 24695247
2-(4-benzylphenoxy)ethanimine
CID 173296115
3-(3-tert-butylphenoxy)propanimidamide
CID 43351835
3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide
CID 62937826
2-phenylethanimidamide
CID 27787
4-(3-ethylphenoxy)butanimidamide
CID 24704166

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylphenoxy)propanimidamide?
The IUPAC name of 3-(4-benzylphenoxy)propanimidamide (CID 62274046) is 3-(4-benzylphenoxy)propanimidamide.
What is the SMILES notation for 3-(4-benzylphenoxy)propanimidamide?
The canonical SMILES for 3-(4-benzylphenoxy)propanimidamide is [H]/N=C(\N)CCOc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 3-(4-benzylphenoxy)propanimidamide?
The InChIKey is AJAQNPMGHFAMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-16(18)10-11-19-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H3,17,18).
What are the key properties of 3-(4-benzylphenoxy)propanimidamide?
3-(4-benzylphenoxy)propanimidamide has a molecular weight of 254.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylphenoxy)propanimidamide is sourced from PubChem (CID 62274046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).