2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine

C18H23NO2 — CID 70696912

IUPAC2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine
SMILESCOc1cccc(OC)c1-c1cccc(CCN(C)[11CH3])c1
InChIInChI=1S/C18H23NO2/c1-19(2)12-11-14-7-5-8-15(13-14)18-16(20-3)9-6-10-17(18)21-4/h5-10,13H,11-12H2,1-4H3/i1-1
InChIKeyKEZANYAKTRIHDI-BJUDXGSMSA-N
MW284.39 g/mol
LogP3.47
Rot. Bonds6

About 2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine

2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine (PubChem CID 70696912) has the molecular formula C18H23NO2 and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine.

Molecular Properties

Compound Name2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine
PubChem CID70696912
Molecular FormulaC18H23NO2
Molecular Weight284.39 g/mol
Exact Mass284.18
IUPAC Name2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine
SMILESCOc1cccc(OC)c1-c1cccc(CCN(C)[11CH3])c1
InChIInChI=1S/C18H23NO2/c1-19(2)12-11-14-7-5-8-15(13-14)18-16(20-3)9-6-10-17(18)21-4/h5-10,13H,11-12H2,1-4H3/i1-1
InChIKeyKEZANYAKTRIHDI-BJUDXGSMSA-N
XLogP3.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
methyl 3-[3-(2-fluoro-6-methoxyphenyl)phenyl]propanoate
CID 146186663
2-(3-iodophenyl)-1,3-dimethoxybenzene
CID 11302224
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine
CID 141222955
5-[2-(dimethylamino)ethyl]-2-methoxybenzonitrile
CID 117292810
2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide
CID 10669237
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine
CID 170865946
[3-(2,6-dimethoxyphenyl)phenyl] propanoate
CID 142465207
N,N-dimethyl-2-(3-nitrosophenyl)ethanamine
CID 143527748

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine?
The IUPAC name of 2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine (CID 70696912) is 2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine.
What is the SMILES notation for 2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine?
The canonical SMILES for 2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine is COc1cccc(OC)c1-c1cccc(CCN(C)[11CH3])c1.
What is the InChIKey of 2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine?
The InChIKey is KEZANYAKTRIHDI-BJUDXGSMSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(2)12-11-14-7-5-8-15(13-14)18-16(20-3)9-6-10-17(18)21-4/h5-10,13H,11-12H2,1-4H3/i1-1.
What are the key properties of 2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine?
2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine has a molecular weight of 284.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethoxyphenyl)phenyl]-N-methyl-N-(111C)methylethanamine is sourced from PubChem (CID 70696912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).