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

C15H16BrFN2 — CID 61416296

IUPAC2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1ccccc1Br)c1ccc(F)cc1CN
InChIInChI=1S/C15H16BrFN2/c1-19(10-11-4-2-3-5-14(11)16)15-7-6-13(17)8-12(15)9-18/h2-8H,9-10,18H2,1H3
InChIKeyLOTRSTRTRZBVJZ-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.68
Rot. Bonds4

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

2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline (PubChem CID 61416296) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
PubChem CID61416296
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1ccccc1Br)c1ccc(F)cc1CN
InChIInChI=1S/C15H16BrFN2/c1-19(10-11-4-2-3-5-14(11)16)15-7-6-13(17)8-12(15)9-18/h2-8H,9-10,18H2,1H3
InChIKeyLOTRSTRTRZBVJZ-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-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
CID 61416419
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114889484
2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766
2-(aminomethyl)-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55012212
1-N-[(2-bromophenyl)methyl]-2-(difluoromethyl)-1-N-methylbenzene-1,4-diamine
CID 63735129
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 114879482
4-(1-aminoethyl)-2-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63534132
1-[4-[(2-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 61416049

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline (CID 61416296) is 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline is CN(Cc1ccccc1Br)c1ccc(F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline?
The InChIKey is LOTRSTRTRZBVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-19(10-11-4-2-3-5-14(11)16)15-7-6-13(17)8-12(15)9-18/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline?
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-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 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 61416296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).