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

C23H27Br2N3O — CID 12935403

IUPACN'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide
SMILESBr.Br.CN(C)CCOc1ccc(/N=C(\Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25N3O.2BrH/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);2*1H
InChIKeyUQGMHBQVHMKVDM-UHFFFAOYSA-N
MW521.30 g/mol
LogP5.97
Rot. Bonds7

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

N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide (PubChem CID 12935403) has the molecular formula C23H27Br2N3O and a molecular weight of 521.30 g/mol. Its IUPAC name is N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide.

Molecular Properties

Compound NameN'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide
PubChem CID12935403
Molecular FormulaC23H27Br2N3O
Molecular Weight521.30 g/mol
Exact Mass519.05
IUPAC NameN'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide
SMILESBr.Br.CN(C)CCOc1ccc(/N=C(\Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25N3O.2BrH/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);2*1H
InChIKeyUQGMHBQVHMKVDM-UHFFFAOYSA-N
XLogP5.97
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.30
LogP ≤ 55.97
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

N'-[4-[3-(dibutylamino)propoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrochloride
CID 45261693
4-chloro-N'-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-phenylbenzenecarboximidamide;hydrochloride
CID 45265026
4-methoxy-N'-(4-methoxyphenyl)-N-phenylbenzenecarboximidamide;hydrochloride
CID 72949778
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide
CID 42603085
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
N-[(Z)-1,2-dihydroindol-3-ylidene(phenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
CID 141019971
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide
CID 68731126
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
1,2-bis(4-butoxyphenyl)guanidine;hydrobromide
CID 22675707
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylpropanamide
CID 119844203
(Z)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylprop-2-en-1-ol
CID 57407502

Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide?
The IUPAC name of N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide (CID 12935403) is N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide.
What is the SMILES notation for N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide?
The canonical SMILES for N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide is Br.Br.CN(C)CCOc1ccc(/N=C(\Nc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide?
The InChIKey is UQGMHBQVHMKVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O.2BrH/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);2*1H.
What are the key properties of N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide?
N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide has a molecular weight of 521.30 g/mol, XLogP of 5.97, 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;dihydrobromide is sourced from PubChem (CID 12935403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).