N-[(3-bromophenyl)methyl]-N,3-dimethylaniline

C15H16BrN — CID 55193940

IUPACN-[(3-bromophenyl)methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrN/c1-12-5-3-8-15(9-12)17(2)11-13-6-4-7-14(16)10-13/h3-10H,11H2,1-2H3
InChIKeyHNFQGWMDTVXWCO-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.39
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-N,3-dimethylaniline

N-[(3-bromophenyl)methyl]-N,3-dimethylaniline (PubChem CID 55193940) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N,3-dimethylaniline
PubChem CID55193940
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-[(3-bromophenyl)methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrN/c1-12-5-3-8-15(9-12)17(2)11-13-6-4-7-14(16)10-13/h3-10H,11H2,1-2H3
InChIKeyHNFQGWMDTVXWCO-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 62971074
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
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N-[(3-bromophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62134209
4-(bromomethyl)-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107080889
4-(2-aminoethyl)-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 63786530
4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107274760
2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61416275
5-[(N,3-dimethylanilino)methyl]-2-methoxybenzoic acid
CID 65339079
4-[(N,3-dimethylanilino)methyl]-N-methylpyridin-2-amine
CID 62470893
N,3-dimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 105347349
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
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2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N,3-dimethylaniline?
The IUPAC name of N-[(3-bromophenyl)methyl]-N,3-dimethylaniline (CID 55193940) is N-[(3-bromophenyl)methyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N,3-dimethylaniline?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N,3-dimethylaniline is Cc1cccc(N(C)Cc2cccc(Br)c2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N,3-dimethylaniline?
The InChIKey is HNFQGWMDTVXWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-12-5-3-8-15(9-12)17(2)11-13-6-4-7-14(16)10-13/h3-10H,11H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N,3-dimethylaniline?
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline has a molecular weight of 290.20 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N,3-dimethylaniline is sourced from PubChem (CID 55193940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).