N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine

C20H27N — CID 66258805

IUPACN-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine
SMILESCCC(C)(C)c1ccc(-c2ccccc2C(C)NC)cc1
InChIInChI=1S/C20H27N/c1-6-20(3,4)17-13-11-16(12-14-17)19-10-8-7-9-18(19)15(2)21-5/h7-15,21H,6H2,1-5H3
InChIKeyMKXURVIWVOXMGH-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.32
Rot. Bonds5

About N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine

N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine (PubChem CID 66258805) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine
PubChem CID66258805
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine
SMILESCCC(C)(C)c1ccc(-c2ccccc2C(C)NC)cc1
InChIInChI=1S/C20H27N/c1-6-20(3,4)17-13-11-16(12-14-17)19-10-8-7-9-18(19)15(2)21-5/h7-15,21H,6H2,1-5H3
InChIKeyMKXURVIWVOXMGH-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine (CID 66258805) is N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine is CCC(C)(C)c1ccc(-c2ccccc2C(C)NC)cc1.
What is the InChIKey of N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine?
The InChIKey is MKXURVIWVOXMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-6-20(3,4)17-13-11-16(12-14-17)19-10-8-7-9-18(19)15(2)21-5/h7-15,21H,6H2,1-5H3.
What are the key properties of N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine?
N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine has a molecular weight of 281.44 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]phenyl]ethanamine is sourced from PubChem (CID 66258805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).