4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline

C14H15BrFN3 — CID 107532176

IUPAC4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCN(Cc1ccncc1)c1ccc(CN)c(Br)c1F
InChIInChI=1S/C14H15BrFN3/c1-19(9-10-4-6-18-7-5-10)12-3-2-11(8-17)13(15)14(12)16/h2-7H,8-9,17H2,1H3
InChIKeyIOVQXKGFKQZJSZ-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.08
Rot. Bonds4

About 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline

4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 107532176) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID107532176
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCN(Cc1ccncc1)c1ccc(CN)c(Br)c1F
InChIInChI=1S/C14H15BrFN3/c1-19(9-10-4-6-18-7-5-10)12-3-2-11(8-17)13(15)14(12)16/h2-7H,8-9,17H2,1H3
InChIKeyIOVQXKGFKQZJSZ-UHFFFAOYSA-N
XLogP3.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 107532224
4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 82794707
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 107532166
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 107532417
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-2,3-difluoro-N-methylaniline
CID 107932774
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 81299898
2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 79517600
3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246480
5-[4-(aminomethyl)-3-bromo-2-fluoro-N-methylanilino]pentan-1-ol
CID 107532538
4-(aminomethyl)-3-bromo-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 107532385
3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 114035262
4-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 107080359

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline (CID 107532176) is 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline is CN(Cc1ccncc1)c1ccc(CN)c(Br)c1F.
What is the InChIKey of 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is IOVQXKGFKQZJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-19(9-10-4-6-18-7-5-10)12-3-2-11(8-17)13(15)14(12)16/h2-7H,8-9,17H2,1H3.
What are the key properties of 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline?
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 324.20 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 107532176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).