1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine

C20H27N — CID 43480542

IUPAC1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCCc1ccc(C(NC)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C20H27N/c1-5-16-6-10-18(11-7-16)20(21-4)19-12-8-17(9-13-19)14-15(2)3/h6-13,15,20-21H,5,14H2,1-4H3
InChIKeyDJIHEOZTSYKZKG-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.76
Rot. Bonds6

About 1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine

1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 43480542) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
PubChem CID43480542
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCCc1ccc(C(NC)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C20H27N/c1-5-16-6-10-18(11-7-16)20(21-4)19-12-8-17(9-13-19)14-15(2)3/h6-13,15,20-21H,5,14H2,1-4H3
InChIKeyDJIHEOZTSYKZKG-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480574
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501
1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480546
1-(4-ethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 43484668
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63435881
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480502
1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 81315749
1-(5-fluoro-2-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 63509375
1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480563

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine (CID 43480542) is 1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine is CCc1ccc(C(NC)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is DJIHEOZTSYKZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-16-6-10-18(11-7-16)20(21-4)19-12-8-17(9-13-19)14-15(2)3/h6-13,15,20-21H,5,14H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 281.44 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 43480542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).