N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine

C14H23NO — CID 115259506

IUPACN-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C14H23NO/c1-7-15(5)9-13-10(2)8-14(16-6)12(4)11(13)3/h8H,7,9H2,1-6H3
InChIKeyDPGCFJWAZUGOQM-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds4

About N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine

N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine (PubChem CID 115259506) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine
PubChem CID115259506
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C14H23NO/c1-7-15(5)9-13-10(2)8-14(16-6)12(4)11(13)3/h8H,7,9H2,1-6H3
InChIKeyDPGCFJWAZUGOQM-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
CID 115232995
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
CID 115259372
N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226303
2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]propanoic acid
CID 117041978
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494
N-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194169
2-ethyl-1-methoxy-3,4,5-trimethylbenzene
CID 118500678
N-methyl-N-[(2,3,4,6-tetramethylphenyl)methyl]propan-1-amine
CID 143873938
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
CID 150791377
N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115258612
3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116927391

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine?
The IUPAC name of N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine (CID 115259506) is N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine is CCN(C)Cc1c(C)cc(OC)c(C)c1C.
What is the InChIKey of N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine?
The InChIKey is DPGCFJWAZUGOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-7-15(5)9-13-10(2)8-14(16-6)12(4)11(13)3/h8H,7,9H2,1-6H3.
What are the key properties of N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine?
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 115259506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).