4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride

C16H20ClN3O — CID 82240770

IUPAC4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H19N3O.ClH/c1-19(2)14-7-3-12(4-8-14)11-20-15-9-5-13(6-10-15)16(17)18;/h3-10H,11H2,1-2H3,(H3,17,18);1H
InChIKeyBGQYQIZVDJBCIG-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.04
Rot. Bonds5

About 4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride

4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride (PubChem CID 82240770) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride
PubChem CID82240770
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H19N3O.ClH/c1-19(2)14-7-3-12(4-8-14)11-20-15-9-5-13(6-10-15)16(17)18;/h3-10H,11H2,1-2H3,(H3,17,18);1H
InChIKeyBGQYQIZVDJBCIG-UHFFFAOYSA-N
XLogP3.04
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
3,5-bis[(4-carbamimidoylphenoxy)methyl]benzenecarboximidamide
CID 139902633
4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
CID 82240588
4-[[3-[(4-carbamimidoylphenoxy)methyl]-5-propan-2-ylphenyl]methoxy]benzenecarboximidamide
CID 157409962
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[[3-[(4-carbamimidoylphenoxy)methyl]-5-propan-2-yloxyphenyl]methoxy]benzenecarboximidamide
CID 159866014
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
4-[(3-bromophenoxy)methyl]benzenecarboximidamide;hydrochloride
CID 82253881
6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide
CID 131981178
4-[[5-[(4-carbamimidoylphenoxy)methyl]-2,4-dimethyl-3-pyridinyl]oxymethyl]benzenecarboximidamide
CID 58636840

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride (CID 82240770) is 4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(OCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride?
The InChIKey is BGQYQIZVDJBCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c1-19(2)14-7-3-12(4-8-14)11-20-15-9-5-13(6-10-15)16(17)18;/h3-10H,11H2,1-2H3,(H3,17,18);1H.
What are the key properties of 4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride?
4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]methoxy]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82240770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).