2,6-dibromo-4-[(N-ethylanilino)methyl]aniline

C15H16Br2N2 — CID 163436090

IUPAC2,6-dibromo-4-[(N-ethylanilino)methyl]aniline
SMILESCCN(Cc1cc(Br)c(N)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H16Br2N2/c1-2-19(12-6-4-3-5-7-12)10-11-8-13(16)15(18)14(17)9-11/h3-9H,2,10,18H2,1H3
InChIKeyAUPOUPBPBKHDBO-UHFFFAOYSA-N
MW384.12 g/mol
LogP4.82
Rot. Bonds4

About 2,6-dibromo-4-[(N-ethylanilino)methyl]aniline

2,6-dibromo-4-[(N-ethylanilino)methyl]aniline (PubChem CID 163436090) has the molecular formula C15H16Br2N2 and a molecular weight of 384.12 g/mol. Its IUPAC name is 2,6-dibromo-4-[(N-ethylanilino)methyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-4-[(N-ethylanilino)methyl]aniline
PubChem CID163436090
Molecular FormulaC15H16Br2N2
Molecular Weight384.12 g/mol
Exact Mass381.97
IUPAC Name2,6-dibromo-4-[(N-ethylanilino)methyl]aniline
SMILESCCN(Cc1cc(Br)c(N)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H16Br2N2/c1-2-19(12-6-4-3-5-7-12)10-11-8-13(16)15(18)14(17)9-11/h3-9H,2,10,18H2,1H3
InChIKeyAUPOUPBPBKHDBO-UHFFFAOYSA-N
XLogP4.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.12
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(N-ethylanilino)methyl]-2-methylaniline
CID 28599045
N-[(4-bromophenyl)methyl]-N-ethylaniline
CID 60683468
N-benzyl-4-(bromomethyl)-N-ethylaniline
CID 107079787
5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline
CID 82183962
N,N-diethylaniline;hydrazine
CID 161037544
N,N-diethylaniline
CID 7061
4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine
CID 131227921
CID 161146216
CID 161146216
3-N-[(3-bromo-5-fluorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 79705882
2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine
CID 80656838
2,6-dibromo-4-ethylaniline
CID 14043928
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(N-ethylanilino)methyl]aniline?
The IUPAC name of 2,6-dibromo-4-[(N-ethylanilino)methyl]aniline (CID 163436090) is 2,6-dibromo-4-[(N-ethylanilino)methyl]aniline.
What is the SMILES notation for 2,6-dibromo-4-[(N-ethylanilino)methyl]aniline?
The canonical SMILES for 2,6-dibromo-4-[(N-ethylanilino)methyl]aniline is CCN(Cc1cc(Br)c(N)c(Br)c1)c1ccccc1.
What is the InChIKey of 2,6-dibromo-4-[(N-ethylanilino)methyl]aniline?
The InChIKey is AUPOUPBPBKHDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2/c1-2-19(12-6-4-3-5-7-12)10-11-8-13(16)15(18)14(17)9-11/h3-9H,2,10,18H2,1H3.
What are the key properties of 2,6-dibromo-4-[(N-ethylanilino)methyl]aniline?
2,6-dibromo-4-[(N-ethylanilino)methyl]aniline has a molecular weight of 384.12 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(N-ethylanilino)methyl]aniline is sourced from PubChem (CID 163436090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).