N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine

C20H27N — CID 66259750

IUPACN-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine
SMILESCCC(C)(C)c1ccc(C(NC)c2cccc(C)c2)cc1
InChIInChI=1S/C20H27N/c1-6-20(3,4)18-12-10-16(11-13-18)19(21-5)17-9-7-8-15(2)14-17/h7-14,19,21H,6H2,1-5H3
InChIKeyQBHYUPZJHIPPCC-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.99
Rot. Bonds5

About N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine

N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine (PubChem CID 66259750) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine
PubChem CID66259750
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine
SMILESCCC(C)(C)c1ccc(C(NC)c2cccc(C)c2)cc1
InChIInChI=1S/C20H27N/c1-6-20(3,4)18-12-10-16(11-13-18)19(21-5)17-9-7-8-15(2)14-17/h7-14,19,21H,6H2,1-5H3
InChIKeyQBHYUPZJHIPPCC-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine
CID 66258782
1-(4-iodophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790034
1-(3,4-diethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115482251
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43480217
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
1-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43481682
N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
CID 115790405
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylphenyl)methanamine
CID 115789821
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790289
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 107961111
N-methyl-1-(3-methylphenyl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482466
N-methyl-1-(3-methylphenyl)-1-pyrimidin-5-ylmethanamine
CID 62491535

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine (CID 66259750) is N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine is CCC(C)(C)c1ccc(C(NC)c2cccc(C)c2)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine?
The InChIKey is QBHYUPZJHIPPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-6-20(3,4)18-12-10-16(11-13-18)19(21-5)17-9-7-8-15(2)14-17/h7-14,19,21H,6H2,1-5H3.
What are the key properties of N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine?
N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine has a molecular weight of 281.44 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 66259750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).