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

C20H27N — CID 115850587

IUPAC1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1C(C)(C)C)c1cccc(C)c1C
InChIInChI=1S/C20H27N/c1-14-10-9-12-16(15(14)2)19(21-6)17-11-7-8-13-18(17)20(3,4)5/h7-13,19,21H,1-6H3
InChIKeyKPLSKWAIWJLVPO-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.91
Rot. Bonds3

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

1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine (PubChem CID 115850587) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
PubChem CID115850587
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1C(C)(C)C)c1cccc(C)c1C
InChIInChI=1S/C20H27N/c1-14-10-9-12-16(15(14)2)19(21-6)17-11-7-8-13-18(17)20(3,4)5/h7-13,19,21H,1-6H3
InChIKeyKPLSKWAIWJLVPO-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-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
1-(2-tert-butylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852086
1-(2-tert-butylphenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115797532
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62548536
1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43485809
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 62548873
1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43482284
1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43486963
1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 113455239
1-(2-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 62946377
1-(2,3-dimethylphenyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 63222475

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine (CID 115850587) is 1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine is CNC(c1ccccc1C(C)(C)C)c1cccc(C)c1C.
What is the InChIKey of 1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The InChIKey is KPLSKWAIWJLVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-14-10-9-12-16(15(14)2)19(21-6)17-11-7-8-13-18(17)20(3,4)5/h7-13,19,21H,1-6H3.
What are the key properties of 1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
1-(2-tert-butylphenyl)-1-(2,3-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-(2,3-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115850587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).