N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine

C18H23NO — CID 143173593

IUPACN-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2c(C)cccc2C)cc1
InChIInChI=1S/C18H23NO/c1-14-6-5-7-15(2)18(14)13-19(3)12-16-8-10-17(20-4)11-9-16/h5-11H,12-13H2,1-4H3
InChIKeyZHJNPFPJLPNCPW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.94
Rot. Bonds5

About N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine

N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 143173593) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID143173593
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2c(C)cccc2C)cc1
InChIInChI=1S/C18H23NO/c1-14-6-5-7-15(2)18(14)13-19(3)12-16-8-10-17(20-4)11-9-16/h5-11H,12-13H2,1-4H3
InChIKeyZHJNPFPJLPNCPW-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550202
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
CID 166042056
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303
N-[[3-(azidomethyl)phenyl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 53231679
3-anthracen-9-yl-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 156612694
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
N-[[7-(benzhydrylideneamino)-2-methyl-1-benzofuran-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 146571773
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine (CID 143173593) is N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine is COc1ccc(CN(C)Cc2c(C)cccc2C)cc1.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is ZHJNPFPJLPNCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-6-5-7-15(2)18(14)13-19(3)12-16-8-10-17(20-4)11-9-16/h5-11H,12-13H2,1-4H3.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 143173593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).