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

C27H33NO2 — CID 139322873

IUPACN-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C27H33NO2/c1-4-27(2,3)21-28-18-24-15-16-25(29-19-22-11-7-5-8-12-22)17-26(24)30-20-23-13-9-6-10-14-23/h5-17,28H,4,18-21H2,1-3H3
InChIKeyNFQJTQMADJCMNI-UHFFFAOYSA-N
MW403.57 g/mol
LogP6.37
Rot. Bonds11

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

N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine (PubChem CID 139322873) has the molecular formula C27H33NO2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine
PubChem CID139322873
Molecular FormulaC27H33NO2
Molecular Weight403.57 g/mol
Exact Mass403.25
IUPAC NameN-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C27H33NO2/c1-4-27(2,3)21-28-18-24-15-16-25(29-19-22-11-7-5-8-12-22)17-26(24)30-20-23-13-9-6-10-14-23/h5-17,28H,4,18-21H2,1-3H3
InChIKeyNFQJTQMADJCMNI-UHFFFAOYSA-N
XLogP6.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylpropan-1-amine
CID 129255521
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
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-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
benzyl 2-methyl-2-[2-[(2-oxopropylamino)methyl]-5-phenylmethoxyphenoxy]propanoate
CID 59897844
N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804142
N-ethyl-2,5-bis(phenylmethoxy)aniline
CID 15565906
(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
CID 68757706

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine (CID 139322873) is N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCc1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine?
The InChIKey is NFQJTQMADJCMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO2/c1-4-27(2,3)21-28-18-24-15-16-25(29-19-22-11-7-5-8-12-22)17-26(24)30-20-23-13-9-6-10-14-23/h5-17,28H,4,18-21H2,1-3H3.
What are the key properties of N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine?
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]-2,2-dimethylbutan-1-amine has a molecular weight of 403.57 g/mol, XLogP of 6.37, 11 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-dimethylbutan-1-amine is sourced from PubChem (CID 139322873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).