N-[(4-bromophenyl)methyl]-N-ethylaniline

C15H16BrN — CID 60683468

IUPACN-[(4-bromophenyl)methyl]-N-ethylaniline
SMILESCCN(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H16BrN/c1-2-17(15-6-4-3-5-7-15)12-13-8-10-14(16)11-9-13/h3-11H,2,12H2,1H3
InChIKeyCVGGVFMTJYRBIK-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.48
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-ethylaniline

N-[(4-bromophenyl)methyl]-N-ethylaniline (PubChem CID 60683468) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-ethylaniline
PubChem CID60683468
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-[(4-bromophenyl)methyl]-N-ethylaniline
SMILESCCN(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H16BrN/c1-2-17(15-6-4-3-5-7-15)12-13-8-10-14(16)11-9-13/h3-11H,2,12H2,1H3
InChIKeyCVGGVFMTJYRBIK-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-(bromomethyl)-N-ethylaniline
CID 107079787
2,6-dibromo-4-[(N-ethylanilino)methyl]aniline
CID 163436090
3-[N-[(4-bromophenyl)methyl]anilino]propanenitrile
CID 24690785
4-[(N-ethylanilino)methyl]-2-methylaniline
CID 28599045
N,N-diethylaniline
CID 7061
4-(2-aminoethyl)-N-benzyl-N-ethylaniline
CID 63783223
N,N-dibenzylaniline
CID 139071697
N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline
CID 55026790
N-benzyl-N-propylaniline
CID 14671265
N,N-diethylaniline;hydrazine
CID 161037544
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-bromobenzenesulfonamide
CID 4237783

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-ethylaniline?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-ethylaniline (CID 60683468) is N-[(4-bromophenyl)methyl]-N-ethylaniline.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-ethylaniline?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-ethylaniline is CCN(Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-ethylaniline?
The InChIKey is CVGGVFMTJYRBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-2-17(15-6-4-3-5-7-15)12-13-8-10-14(16)11-9-13/h3-11H,2,12H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-ethylaniline?
N-[(4-bromophenyl)methyl]-N-ethylaniline has a molecular weight of 290.20 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-ethylaniline is sourced from PubChem (CID 60683468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).