N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine

C26H31NO2 — CID 129255521

IUPACN-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C26H31NO2/c1-26(2,3)20-27-17-23-14-15-24(28-18-21-10-6-4-7-11-21)16-25(23)29-19-22-12-8-5-9-13-22/h4-16,27H,17-20H2,1-3H3
InChIKeyLTKDTEBMISVGCN-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.98
Rot. Bonds9

About N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine

N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine (PubChem CID 129255521) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine
PubChem CID129255521
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC NameN-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C26H31NO2/c1-26(2,3)20-27-17-23-14-15-24(28-18-21-10-6-4-7-11-21)16-25(23)29-19-22-12-8-5-9-13-22/h4-16,27H,17-20H2,1-3H3
InChIKeyLTKDTEBMISVGCN-UHFFFAOYSA-N
XLogP5.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine
CID 139322873
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
[2,4-bis(phenylmethoxy)phenyl]methyl formate
CID 87851163
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
CID 59768381
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
benzyl 2-methyl-2-[2-[(2-oxopropylamino)methyl]-5-phenylmethoxyphenoxy]propanoate
CID 59897844
(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
CID 68757706
tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
CID 68795475
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 22087416

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine (CID 129255521) is N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCc1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is LTKDTEBMISVGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-26(2,3)20-27-17-23-14-15-24(28-18-21-10-6-4-7-11-21)16-25(23)29-19-22-12-8-5-9-13-22/h4-16,27H,17-20H2,1-3H3.
What are the key properties of N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine?
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 389.54 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 129255521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).