N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine

C19H25N — CID 43489966

IUPACN-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1ccc(C)cc1C
InChIInChI=1S/C19H25N/c1-5-16-8-10-17(11-9-16)19(20-6-2)18-12-7-14(3)13-15(18)4/h7-13,19-20H,5-6H2,1-4H3
InChIKeyRJUFNFOQMLEIPG-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.56
Rot. Bonds5

About N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine

N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine (PubChem CID 43489966) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
PubChem CID43489966
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1ccc(C)cc1C
InChIInChI=1S/C19H25N/c1-5-16-8-10-17(11-9-16)19(20-6-2)18-12-7-14(3)13-15(18)4/h7-13,19-20H,5-6H2,1-4H3
InChIKeyRJUFNFOQMLEIPG-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine (CID 43489966) is N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine is CCNC(c1ccc(CC)cc1)c1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine?
The InChIKey is RJUFNFOQMLEIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-5-16-8-10-17(11-9-16)19(20-6-2)18-12-7-14(3)13-15(18)4/h7-13,19-20H,5-6H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine?
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43489966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).