1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine

C17H21NO — CID 106681095

IUPAC1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
SMILESCOc1cc(C)cc(C)c1-c1ccc(C(C)N)cc1
InChIInChI=1S/C17H21NO/c1-11-9-12(2)17(16(10-11)19-4)15-7-5-14(6-8-15)13(3)18/h5-10,13H,18H2,1-4H3
InChIKeyXAEZTWUAKDYOCX-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.00
Rot. Bonds3

About 1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine

1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine (PubChem CID 106681095) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
PubChem CID106681095
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
SMILESCOc1cc(C)cc(C)c1-c1ccc(C(C)N)cc1
InChIInChI=1S/C17H21NO/c1-11-9-12(2)17(16(10-11)19-4)15-7-5-14(6-8-15)13(3)18/h5-10,13H,18H2,1-4H3
InChIKeyXAEZTWUAKDYOCX-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681143
1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine
CID 106882206
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine
CID 106681172
[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine
CID 106681165
2-methoxy-5-(2,4,6-trimethylphenyl)aniline
CID 54971573
1-[4-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanamine
CID 61034522
1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541809
(2-methoxy-4,6-dimethylphenyl)-(4-methoxyphenyl)methanamine
CID 106680347
1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine
CID 79689806
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
1-[4-[(1R)-1-aminoethyl]phenyl]-7-fluoro-2-methoxy-4-methyl-5H-phenanthridin-6-one;hydrochloride
CID 175751761

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine (CID 106681095) is 1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine is COc1cc(C)cc(C)c1-c1ccc(C(C)N)cc1.
What is the InChIKey of 1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine?
The InChIKey is XAEZTWUAKDYOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11-9-12(2)17(16(10-11)19-4)15-7-5-14(6-8-15)13(3)18/h5-10,13H,18H2,1-4H3.
What are the key properties of 1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine?
1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine is sourced from PubChem (CID 106681095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).