4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline

C16H19BrN2 — CID 28679649

IUPAC4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCc2ccccc2Br)cc1
InChIInChI=1S/C16H19BrN2/c1-19(2)15-9-7-13(8-10-15)11-18-12-14-5-3-4-6-16(14)17/h3-10,18H,11-12H2,1-2H3
InChIKeyDDNWDRYRAHRZFH-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.80
Rot. Bonds5

About 4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline

4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline (PubChem CID 28679649) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline
PubChem CID28679649
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCc2ccccc2Br)cc1
InChIInChI=1S/C16H19BrN2/c1-19(2)15-9-7-13(8-10-15)11-18-12-14-5-3-4-6-16(14)17/h3-10,18H,11-12H2,1-2H3
InChIKeyDDNWDRYRAHRZFH-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol
CID 61390527
N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine
CID 65476357
N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61401469
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 115875937
2-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]acetic acid
CID 103244811
4-[[(4-bromo-2-chlorophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 115595283
4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline
CID 62085887
4-[(1-benzothiophen-3-ylmethylamino)methyl]-N,N-dimethylaniline
CID 60704952
4-[[[4-(dimethylamino)phenyl]methylamino]methyl]benzene-1,2,3-triol
CID 103953108
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 60701425
4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28538578
N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 43747278

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline (CID 28679649) is 4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline is CN(C)c1ccc(CNCc2ccccc2Br)cc1.
What is the InChIKey of 4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline?
The InChIKey is DDNWDRYRAHRZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-19(2)15-9-7-13(8-10-15)11-18-12-14-5-3-4-6-16(14)17/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline?
4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline has a molecular weight of 319.25 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 28679649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).