1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

C20H27N — CID 115797532

IUPAC1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1ccccc1C(C)(C)C
InChIInChI=1S/C20H27N/c1-14-11-15(2)13-16(12-14)19(21-6)17-9-7-8-10-18(17)20(3,4)5/h7-13,19,21H,1-6H3
InChIKeyRHTNKJPERZRKQV-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.91
Rot. Bonds3

About 1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 115797532) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID115797532
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1ccccc1C(C)(C)C
InChIInChI=1S/C20H27N/c1-14-11-15(2)13-16(12-14)19(21-6)17-9-7-8-10-18(17)20(3,4)5/h7-13,19,21H,1-6H3
InChIKeyRHTNKJPERZRKQV-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850587
1-(2-tert-butylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852086
1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113453366
1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809298
1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016630
1-(3,5-dimethylphenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020075
1-(3,5-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105097099
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43484460
1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808315
1-(2,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 63502416
2,6-ditert-butyl-4-[methylamino(phenyl)methyl]phenol
CID 139761917
1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860660

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (CID 115797532) is 1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(C)c1)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is RHTNKJPERZRKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-14-11-15(2)13-16(12-14)19(21-6)17-9-7-8-10-18(17)20(3,4)5/h7-13,19,21H,1-6H3.
What are the key properties of 1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 281.44 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115797532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).