3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide

C23H24N2O2 — CID 67455707

IUPAC3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc(CN)cc2OCc2ccccc2)c1
InChIInChI=1S/C23H24N2O2/c1-25(2)23(26)20-10-6-9-19(14-20)21-12-11-18(15-24)13-22(21)27-16-17-7-4-3-5-8-17/h3-14H,15-16,24H2,1-2H3
InChIKeyFADKWZQCRFUFOD-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.09
Rot. Bonds6

About 3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide

3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide (PubChem CID 67455707) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide
PubChem CID67455707
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc(CN)cc2OCc2ccccc2)c1
InChIInChI=1S/C23H24N2O2/c1-25(2)23(26)20-10-6-9-19(14-20)21-12-11-18(15-24)13-22(21)27-16-17-7-4-3-5-8-17/h3-14H,15-16,24H2,1-2H3
InChIKeyFADKWZQCRFUFOD-UHFFFAOYSA-N
XLogP4.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508425
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine
CID 176508500
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
3-(3-ethylphenyl)-N,N-dimethylbenzamide
CID 20651355
[4-(3-chloro-5-fluorophenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508497
propyl 3-[5-(hydroxymethyl)-2-phenylmethoxyphenyl]benzoate
CID 67659567
2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol
CID 144778131
N,N-dimethyl-3-[2-[[N'-methyl-N-[(2-phenylmethoxyphenyl)methyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111668515
3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53219633
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide (CID 67455707) is 3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2ccc(CN)cc2OCc2ccccc2)c1.
What is the InChIKey of 3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide?
The InChIKey is FADKWZQCRFUFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-25(2)23(26)20-10-6-9-19(14-20)21-12-11-18(15-24)13-22(21)27-16-17-7-4-3-5-8-17/h3-14H,15-16,24H2,1-2H3.
What are the key properties of 3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide?
3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide has a molecular weight of 360.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2-phenylmethoxyphenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 67455707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).