4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline

C15H15BrClFN2 — CID 107532224

IUPAC4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
SMILESCN(Cc1cccc(Cl)c1)c1ccc(CN)c(Br)c1F
InChIInChI=1S/C15H15BrClFN2/c1-20(9-10-3-2-4-12(17)7-10)13-6-5-11(8-19)14(16)15(13)18/h2-7H,8-9,19H2,1H3
InChIKeyUPRSXSUQCSAIKL-UHFFFAOYSA-N
MW357.65 g/mol
LogP4.34
Rot. Bonds4

About 4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline

4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline (PubChem CID 107532224) has the molecular formula C15H15BrClFN2 and a molecular weight of 357.65 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
PubChem CID107532224
Molecular FormulaC15H15BrClFN2
Molecular Weight357.65 g/mol
Exact Mass356.01
IUPAC Name4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
SMILESCN(Cc1cccc(Cl)c1)c1ccc(CN)c(Br)c1F
InChIInChI=1S/C15H15BrClFN2/c1-20(9-10-3-2-4-12(17)7-10)13-6-5-11(8-19)14(16)15(13)18/h2-7H,8-9,19H2,1H3
InChIKeyUPRSXSUQCSAIKL-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.65
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(3-bromophenyl)methyl]-2,3-difluoro-N-methylaniline
CID 107932774
2-bromo-4-[(3-chlorophenyl)methyl-methylamino]-3-fluorobenzonitrile
CID 107533312
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 63081281
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 107532176
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389320
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
CID 61413515
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61417217
4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63817189
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 107532166
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline (CID 107532224) is 4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline is CN(Cc1cccc(Cl)c1)c1ccc(CN)c(Br)c1F.
What is the InChIKey of 4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline?
The InChIKey is UPRSXSUQCSAIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2/c1-20(9-10-3-2-4-12(17)7-10)13-6-5-11(8-19)14(16)15(13)18/h2-7H,8-9,19H2,1H3.
What are the key properties of 4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline?
4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline has a molecular weight of 357.65 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 107532224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).