3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline

C19H25N — CID 170392103

IUPAC3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline
SMILESCCc1cc(N(C)c2ccc(C)c(CC)c2)ccc1C
InChIInChI=1S/C19H25N/c1-6-16-12-18(10-8-14(16)3)20(5)19-11-9-15(4)17(7-2)13-19/h8-13H,6-7H2,1-5H3
InChIKeyMXDZBDVXJBSMEN-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.20
Rot. Bonds4

About 3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline

3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline (PubChem CID 170392103) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline.

Molecular Properties

Compound Name3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline
PubChem CID170392103
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline
SMILESCCc1cc(N(C)c2ccc(C)c(CC)c2)ccc1C
InChIInChI=1S/C19H25N/c1-6-16-12-18(10-8-14(16)3)20(5)19-11-9-15(4)17(7-2)13-19/h8-13H,6-7H2,1-5H3
InChIKeyMXDZBDVXJBSMEN-UHFFFAOYSA-N
XLogP5.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline?
The IUPAC name of 3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline (CID 170392103) is 3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline.
What is the SMILES notation for 3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline?
The canonical SMILES for 3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline is CCc1cc(N(C)c2ccc(C)c(CC)c2)ccc1C.
What is the InChIKey of 3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline?
The InChIKey is MXDZBDVXJBSMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-6-16-12-18(10-8-14(16)3)20(5)19-11-9-15(4)17(7-2)13-19/h8-13H,6-7H2,1-5H3.
What are the key properties of 3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline?
3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-ethyl-4-methylphenyl)-N,4-dimethylaniline is sourced from PubChem (CID 170392103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).