1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine

C17H21NO — CID 43481665

IUPAC1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H21NO/c1-12-9-13(2)11-15(10-12)17(18-3)14-5-7-16(19-4)8-6-14/h5-11,17-18H,1-4H3
InChIKeyXRTGTIQWYWMAOY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.62
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine

1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 43481665) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID43481665
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H21NO/c1-12-9-13(2)11-15(10-12)17(18-3)14-5-7-16(19-4)8-6-14/h5-11,17-18H,1-4H3
InChIKeyXRTGTIQWYWMAOY-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682
1-(3,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43481801
1-(4-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 63155861
1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481084
1-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481310
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951951
1-(4-bromo-3-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 81290742
1-(3-chloro-5-methylphenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 81316261
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79704486
1-(4-methoxyphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480574
1-(3-chloro-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81323002

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine (CID 43481665) is 1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is XRTGTIQWYWMAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-9-13(2)11-15(10-12)17(18-3)14-5-7-16(19-4)8-6-14/h5-11,17-18H,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine?
1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43481665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).