N-benzyl-2-bromo-4-methylaniline

C14H14BrN — CID 11242845

IUPACN-benzyl-2-bromo-4-methylaniline
SMILESCc1ccc(NCc2ccccc2)c(Br)c1
InChIInChI=1S/C14H14BrN/c1-11-7-8-14(13(15)9-11)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyUFDTXDVLBTYCBY-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.37
Rot. Bonds3

About N-benzyl-2-bromo-4-methylaniline

N-benzyl-2-bromo-4-methylaniline (PubChem CID 11242845) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is N-benzyl-2-bromo-4-methylaniline.

Molecular Properties

Compound NameN-benzyl-2-bromo-4-methylaniline
PubChem CID11242845
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC NameN-benzyl-2-bromo-4-methylaniline
SMILESCc1ccc(NCc2ccccc2)c(Br)c1
InChIInChI=1S/C14H14BrN/c1-11-7-8-14(13(15)9-11)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeyUFDTXDVLBTYCBY-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-2-bromo-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-bromo-4-methylanilino)methyl]benzoic acid
CID 103231664
4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol
CID 28932226
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
N-benzyl-2-chloro-5-methylaniline
CID 83290853
2-bromo-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 1115726
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60898020
2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide
CID 71496221
3-bromo-4-[(4-methylphenyl)methylamino]benzonitrile
CID 43722708
2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide
CID 109303716
2-bromo-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline;oxalic acid
CID 17367543
2-bromo-N-[(4-bromophenyl)methyl]-5-methylaniline
CID 82762026

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-4-methylaniline?
The IUPAC name of N-benzyl-2-bromo-4-methylaniline (CID 11242845) is N-benzyl-2-bromo-4-methylaniline.
What is the SMILES notation for N-benzyl-2-bromo-4-methylaniline?
The canonical SMILES for N-benzyl-2-bromo-4-methylaniline is Cc1ccc(NCc2ccccc2)c(Br)c1.
What is the InChIKey of N-benzyl-2-bromo-4-methylaniline?
The InChIKey is UFDTXDVLBTYCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-11-7-8-14(13(15)9-11)16-10-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3.
What are the key properties of N-benzyl-2-bromo-4-methylaniline?
N-benzyl-2-bromo-4-methylaniline has a molecular weight of 276.18 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-4-methylaniline is sourced from PubChem (CID 11242845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).