N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine

C26H31NO2 — CID 86653767

IUPACN-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine
SMILESCNCCc1c(C)c(OCc2ccccc2)c(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C26H31NO2/c1-19-20(2)26(29-18-23-13-9-6-10-14-23)24(15-16-27-4)21(3)25(19)28-17-22-11-7-5-8-12-22/h5-14,27H,15-18H2,1-4H3
InChIKeyODOAMJHXRHMVIC-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.53
Rot. Bonds9

About N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine

N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine (PubChem CID 86653767) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine
PubChem CID86653767
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC NameN-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine
SMILESCNCCc1c(C)c(OCc2ccccc2)c(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C26H31NO2/c1-19-20(2)26(29-18-23-13-9-6-10-14-23)24(15-16-27-4)21(3)25(19)28-17-22-11-7-5-8-12-22/h5-14,27H,15-18H2,1-4H3
InChIKeyODOAMJHXRHMVIC-UHFFFAOYSA-N
XLogP5.53
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 ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butan-2-one
CID 54428047
(2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite
CID 166169617
N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide
CID 86653783
2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 82550820
N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine
CID 170120843
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
2,4,5-trimethyl-3,6-bis(phenylmethoxy)benzaldehyde
CID 86653777
1,4-dimethoxy-2,3,5-trimethyl-6-[(2-phenylmethoxyphenyl)methyl]benzene
CID 139821810
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830
lithium;hydride;N-methyl-2-phenylethanamine
CID 174675590
2-(3-hydroxy-3-methylpent-4-enyl)-3,5,6-trimethyl-4-phenylmethoxyphenol
CID 19819063

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine (CID 86653767) is N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine is CNCCc1c(C)c(OCc2ccccc2)c(C)c(C)c1OCc1ccccc1.
What is the InChIKey of N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine?
The InChIKey is ODOAMJHXRHMVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-19-20(2)26(29-18-23-13-9-6-10-14-23)24(15-16-27-4)21(3)25(19)28-17-22-11-7-5-8-12-22/h5-14,27H,15-18H2,1-4H3.
What are the key properties of N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine?
N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine has a molecular weight of 389.54 g/mol, XLogP of 5.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 86653767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).