4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide

C16H18N2O — CID 61481990

IUPAC4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cc(C)ccc2C)cc1
InChIInChI=1S/C16H18N2O/c1-11-3-4-12(2)14(9-11)10-19-15-7-5-13(6-8-15)16(17)18/h3-9H,10H2,1-2H3,(H3,17,18)
InChIKeyYLHLQMULEBCASL-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.17
Rot. Bonds4

About 4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide

4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide (PubChem CID 61481990) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide
PubChem CID61481990
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cc(C)ccc2C)cc1
InChIInChI=1S/C16H18N2O/c1-11-3-4-12(2)14(9-11)10-19-15-7-5-13(6-8-15)16(17)18/h3-9H,10H2,1-2H3,(H3,17,18)
InChIKeyYLHLQMULEBCASL-UHFFFAOYSA-N
XLogP3.17
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.17
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

4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483676
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999556
3,5-bis[(4-carbamimidoylphenoxy)methyl]benzenecarboximidamide
CID 139902633
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 55045519
2-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanimidamide
CID 62160967
[4-[(2,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 61481951
2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
CID 60627982
4-[[3-[(4-carbamimidoyl-2-methoxyphenyl)methoxy]-5-methylphenoxy]methyl]-3-methoxybenzenecarboximidamide
CID 157208014

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide (CID 61481990) is 4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2cc(C)ccc2C)cc1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide?
The InChIKey is YLHLQMULEBCASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-3-4-12(2)14(9-11)10-19-15-7-5-13(6-8-15)16(17)18/h3-9H,10H2,1-2H3,(H3,17,18).
What are the key properties of 4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide?
4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide has a molecular weight of 254.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 61481990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).