N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline

C14H13BrFN — CID 114254482

IUPACN-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline
SMILESCc1cccc(NCc2ccc(Br)cc2)c1F
InChIInChI=1S/C14H13BrFN/c1-10-3-2-4-13(14(10)16)17-9-11-5-7-12(15)8-6-11/h2-8,17H,9H2,1H3
InChIKeyPDQYHQSYTMEUCI-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.51
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline

N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline (PubChem CID 114254482) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline
PubChem CID114254482
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC NameN-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline
SMILESCc1cccc(NCc2ccc(Br)cc2)c1F
InChIInChI=1S/C14H13BrFN/c1-10-3-2-4-13(14(10)16)17-9-11-5-7-12(15)8-6-11/h2-8,17H,9H2,1H3
InChIKeyPDQYHQSYTMEUCI-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromophenyl)methyl]-2-fluoro-3-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

2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline
CID 115904322
N-[(4-bromo-3-methylphenyl)methyl]-2,3-difluoroaniline
CID 66472419
N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-2-fluoroaniline
CID 66474796
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-3-methylaniline;molecular hydrogen
CID 164870346
N-[(4-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879011
1-(2-fluoro-3-methylanilino)-2-methylpropan-2-ol
CID 130497270
N-[(4-bromophenyl)methyl]-2,4,5-trifluoroaniline
CID 62815003
2-[(4-bromophenyl)methylamino]-3-methylbenzenecarbothioamide
CID 107107784
N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline
CID 79710755
N-benzyl-2,3-difluoroaniline
CID 21321341

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline (CID 114254482) is N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline is Cc1cccc(NCc2ccc(Br)cc2)c1F.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline?
The InChIKey is PDQYHQSYTMEUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c1-10-3-2-4-13(14(10)16)17-9-11-5-7-12(15)8-6-11/h2-8,17H,9H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline?
N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline has a molecular weight of 294.17 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-fluoro-3-methylaniline is sourced from PubChem (CID 114254482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).