N,N-diethyl-4-(2-methylphenyl)aniline

C17H21N — CID 18628401

IUPACN,N-diethyl-4-(2-methylphenyl)aniline
SMILESCCN(CC)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C17H21N/c1-4-18(5-2)16-12-10-15(11-13-16)17-9-7-6-8-14(17)3/h6-13H,4-5H2,1-3H3
InChIKeyYBCKDGPNIJYSIS-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.51
Rot. Bonds4

About N,N-diethyl-4-(2-methylphenyl)aniline

N,N-diethyl-4-(2-methylphenyl)aniline (PubChem CID 18628401) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N,N-diethyl-4-(2-methylphenyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(2-methylphenyl)aniline
PubChem CID18628401
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN,N-diethyl-4-(2-methylphenyl)aniline
SMILESCCN(CC)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C17H21N/c1-4-18(5-2)16-12-10-15(11-13-16)17-9-7-6-8-14(17)3/h6-13H,4-5H2,1-3H3
InChIKeyYBCKDGPNIJYSIS-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-methylphenyl)aniline?
The IUPAC name of N,N-diethyl-4-(2-methylphenyl)aniline (CID 18628401) is N,N-diethyl-4-(2-methylphenyl)aniline.
What is the SMILES notation for N,N-diethyl-4-(2-methylphenyl)aniline?
The canonical SMILES for N,N-diethyl-4-(2-methylphenyl)aniline is CCN(CC)c1ccc(-c2ccccc2C)cc1.
What is the InChIKey of N,N-diethyl-4-(2-methylphenyl)aniline?
The InChIKey is YBCKDGPNIJYSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-4-18(5-2)16-12-10-15(11-13-16)17-9-7-6-8-14(17)3/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-(2-methylphenyl)aniline?
N,N-diethyl-4-(2-methylphenyl)aniline has a molecular weight of 239.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-methylphenyl)aniline is sourced from PubChem (CID 18628401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).