1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine

C20H27N — CID 115482248

IUPAC1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cc(C)ccc2C)cc1CC
InChIInChI=1S/C20H27N/c1-6-16-10-11-18(13-17(16)7-2)20(21-5)19-12-14(3)8-9-15(19)4/h8-13,20-21H,6-7H2,1-5H3
InChIKeyMLVOLTOJXGMGSQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.74
Rot. Bonds5

About 1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine

1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 115482248) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
PubChem CID115482248
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cc(C)ccc2C)cc1CC
InChIInChI=1S/C20H27N/c1-6-16-10-11-18(13-17(16)7-2)20(21-5)19-12-14(3)8-9-15(19)4/h8-13,20-21H,6-7H2,1-5H3
InChIKeyMLVOLTOJXGMGSQ-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-diethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115482234
1-(3-bromo-4-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482181
1-(4-bromo-2-methylphenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482156
1-(3,4-diethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115482251
1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483766
N-[(2,5-dimethylphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487964
1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43479934
1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 115482274
1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43483809
1-(3-bromo-2-fluorophenyl)-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 107950854
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(4-cyclobutylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105044965

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine (CID 115482248) is 1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)c2cc(C)ccc2C)cc1CC.
What is the InChIKey of 1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is MLVOLTOJXGMGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-6-16-10-11-18(13-17(16)7-2)20(21-5)19-12-14(3)8-9-15(19)4/h8-13,20-21H,6-7H2,1-5H3.
What are the key properties of 1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 281.44 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115482248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).