1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine

C17H21NO — CID 106681069

IUPAC1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(-c2c(C)cc(C)cc2OC)c1
InChIInChI=1S/C17H21NO/c1-12-8-13(2)17(16(9-12)19-4)15-7-5-6-14(10-15)11-18-3/h5-10,18H,11H2,1-4H3
InChIKeyDOPXAWLGVDNVQD-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.70
Rot. Bonds4

About 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine

1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine (PubChem CID 106681069) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine
PubChem CID106681069
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(-c2c(C)cc(C)cc2OC)c1
InChIInChI=1S/C17H21NO/c1-12-8-13(2)17(16(9-12)19-4)15-7-5-6-14(10-15)11-18-3/h5-10,18H,11H2,1-4H3
InChIKeyDOPXAWLGVDNVQD-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-methoxy-3-methylphenyl)phenyl]-N-methylmethanamine
CID 61034321
1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 106681161
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine
CID 106681172
N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424520
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
CID 105409508
[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine
CID 106681165

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine (CID 106681069) is 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine is CNCc1cccc(-c2c(C)cc(C)cc2OC)c1.
What is the InChIKey of 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is DOPXAWLGVDNVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-8-13(2)17(16(9-12)19-4)15-7-5-6-14(10-15)11-18-3/h5-10,18H,11H2,1-4H3.
What are the key properties of 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine?
1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 106681069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).