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

C15H16BrFN2 — CID 115366742

IUPAC4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline
SMILESCN(Cc1ccc(Br)cc1)c1ccc(CN)c(F)c1
InChIInChI=1S/C15H16BrFN2/c1-19(10-11-2-5-13(16)6-3-11)14-7-4-12(9-18)15(17)8-14/h2-8H,9-10,18H2,1H3
InChIKeyQQDONMNLCDSGIG-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.68
Rot. Bonds4

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

4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline (PubChem CID 115366742) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline
PubChem CID115366742
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline
SMILESCN(Cc1ccc(Br)cc1)c1ccc(CN)c(F)c1
InChIInChI=1S/C15H16BrFN2/c1-19(10-11-2-5-13(16)6-3-11)14-7-4-12(9-18)15(17)8-14/h2-8H,9-10,18H2,1H3
InChIKeyQQDONMNLCDSGIG-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline
CID 113295412
4-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 63786890
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
CID 115366816
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 115366747
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
CID 115213189
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319
4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634
4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 115366884
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389702
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline (CID 115366742) is 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline is CN(Cc1ccc(Br)cc1)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline?
The InChIKey is QQDONMNLCDSGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-19(10-11-2-5-13(16)6-3-11)14-7-4-12(9-18)15(17)8-14/h2-8H,9-10,18H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline?
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline has a molecular weight of 323.21 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 115366742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).