4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine

C14H15BrFN3 — CID 105389702

IUPAC4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(Br)cc1)c1nccc(CN)c1F
InChIInChI=1S/C14H15BrFN3/c1-19(9-10-2-4-12(15)5-3-10)14-13(16)11(8-17)6-7-18-14/h2-7H,8-9,17H2,1H3
InChIKeyDCNCHEOFDWQNHL-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.08
Rot. Bonds4

About 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine

4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine (PubChem CID 105389702) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
PubChem CID105389702
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(Br)cc1)c1nccc(CN)c1F
InChIInChI=1S/C14H15BrFN3/c1-19(9-10-2-4-12(15)5-3-10)14-13(16)11(8-17)6-7-18-14/h2-7H,8-9,17H2,1H3
InChIKeyDCNCHEOFDWQNHL-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)-N-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 105388980
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389320
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylpyridazin-3-amine
CID 80508839
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 105390306
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105388812
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 115366742
4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390426
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61373552
3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 105382002
4-(aminomethyl)-3-fluoro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 105389449

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine (CID 105389702) is 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine is CN(Cc1ccc(Br)cc1)c1nccc(CN)c1F.
What is the InChIKey of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is DCNCHEOFDWQNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-19(9-10-2-4-12(15)5-3-10)14-13(16)11(8-17)6-7-18-14/h2-7H,8-9,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine?
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine 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)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 105389702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).