N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide

C23H26BrN3O — CID 45261703

IUPACN'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide
SMILESBr.CN(C)CCOc1ccc(/N=C(\Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25N3O.BrH/c1-26(2)17-18-27-22-15-13-21(14-16-22)25-23(19-9-5-3-6-10-19)24-20-11-7-4-8-12-20;/h3-16H,17-18H2,1-2H3,(H,24,25);1H
InChIKeySOWPSTMXSBIOSF-UHFFFAOYSA-N
MW440.39 g/mol
LogP5.40
Rot. Bonds7

About N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide

N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide (PubChem CID 45261703) has the molecular formula C23H26BrN3O and a molecular weight of 440.39 g/mol. Its IUPAC name is N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide.

Molecular Properties

Compound NameN'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide
PubChem CID45261703
Molecular FormulaC23H26BrN3O
Molecular Weight440.39 g/mol
Exact Mass439.13
IUPAC NameN'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide
SMILESBr.CN(C)CCOc1ccc(/N=C(\Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25N3O.BrH/c1-26(2)17-18-27-22-15-13-21(14-16-22)25-23(19-9-5-3-6-10-19)24-20-11-7-4-8-12-20;/h3-16H,17-18H2,1-2H3,(H,24,25);1H
InChIKeySOWPSTMXSBIOSF-UHFFFAOYSA-N
XLogP5.40
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.39
LogP ≤ 55.40
H-Bond Donors ≤ 51
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-Amino-1-[4-(benzyloxy)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazin-2-ylamine
CID 10448877
N,N'-diphenyl-4-methoxybenzamidine
CID 467231
N-(4-(Dimethylamino)benzylidene)-P-phenetidine
CID 139942
N-(4-Benzyloxy-phenyl)-N''-(4-butyl-phenyl)-guanidine
CID 10809379
3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phenylamino}-propenyl)-benzamidine
CID 18318198
3-(4-Methoxyphenyl)-2-phenylquinazolin-4-imine
CID 122226451
N,4-diphenyl-1-(4-phenylmethoxyphenyl)azetidin-2-imine
CID 126673384
1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702629
1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702637
4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
CID 126702783
N~1~,N'~1~-Bis(4-methoxyphenyl)-1-benzenecarboximidamide
CID 3027143
1-(4-Methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
CID 681439

Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide?
The IUPAC name of N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide (CID 45261703) is N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide.
What is the SMILES notation for N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide?
The canonical SMILES for N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide is Br.CN(C)CCOc1ccc(/N=C(\Nc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide?
The InChIKey is SOWPSTMXSBIOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O.BrH/c1-26(2)17-18-27-22-15-13-21(14-16-22)25-23(19-9-5-3-6-10-19)24-20-11-7-4-8-12-20;/h3-16H,17-18H2,1-2H3,(H,24,25);1H.
What are the key properties of N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide?
N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide has a molecular weight of 440.39 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrobromide is sourced from PubChem (CID 45261703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).