N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline

C21H20BrN — CID 118968846

IUPACN-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline
SMILESCCc1ccccc1N(c1ccc(Br)cc1)c1ccccc1C
InChIInChI=1S/C21H20BrN/c1-3-17-9-5-7-11-21(17)23(19-14-12-18(22)13-15-19)20-10-6-4-8-16(20)2/h4-15H,3H2,1-2H3
InChIKeyNUQNRLNSRCWQGD-UHFFFAOYSA-N
MW366.30 g/mol
LogP6.79
Rot. Bonds4

About N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline

N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline (PubChem CID 118968846) has the molecular formula C21H20BrN and a molecular weight of 366.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline
PubChem CID118968846
Molecular FormulaC21H20BrN
Molecular Weight366.30 g/mol
Exact Mass365.08
IUPAC NameN-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline
SMILESCCc1ccccc1N(c1ccc(Br)cc1)c1ccccc1C
InChIInChI=1S/C21H20BrN/c1-3-17-9-5-7-11-21(17)23(19-14-12-18(22)13-15-19)20-10-6-4-8-16(20)2/h4-15H,3H2,1-2H3
InChIKeyNUQNRLNSRCWQGD-UHFFFAOYSA-N
XLogP6.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.30
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline?
The IUPAC name of N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline (CID 118968846) is N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline.
What is the SMILES notation for N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline?
The canonical SMILES for N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline is CCc1ccccc1N(c1ccc(Br)cc1)c1ccccc1C.
What is the InChIKey of N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline?
The InChIKey is NUQNRLNSRCWQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN/c1-3-17-9-5-7-11-21(17)23(19-14-12-18(22)13-15-19)20-10-6-4-8-16(20)2/h4-15H,3H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline?
N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline has a molecular weight of 366.30 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-(2-ethylphenyl)-2-methylaniline is sourced from PubChem (CID 118968846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).