1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine

C18H23N — CID 55136169

IUPAC1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)(N)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H23N/c1-5-15-8-10-16(11-9-15)18(4,19)17-12-13(2)6-7-14(17)3/h6-12H,5,19H2,1-4H3
InChIKeyKVMHRNSGJNQTLR-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.09
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine

1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine (PubChem CID 55136169) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine
PubChem CID55136169
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)(N)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H23N/c1-5-15-8-10-16(11-9-15)18(4,19)17-12-13(2)6-7-14(17)3/h6-12H,5,19H2,1-4H3
InChIKeyKVMHRNSGJNQTLR-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine (CID 55136169) is 1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)(N)c2cc(C)ccc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is KVMHRNSGJNQTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-5-15-8-10-16(11-9-15)18(4,19)17-12-13(2)6-7-14(17)3/h6-12H,5,19H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine?
1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 55136169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).