2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline

C15H16BrFN2 — CID 114879482

IUPAC2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccccc1F)c1cccc(Br)c1CN
InChIInChI=1S/C15H16BrFN2/c1-19(10-11-5-2-3-7-14(11)17)15-8-4-6-13(16)12(15)9-18/h2-8H,9-10,18H2,1H3
InChIKeyWOIRQZRFAWQQEA-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.68
Rot. Bonds4

About 2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline

2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline (PubChem CID 114879482) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
PubChem CID114879482
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccccc1F)c1cccc(Br)c1CN
InChIInChI=1S/C15H16BrFN2/c1-19(10-11-5-2-3-7-14(11)17)15-8-4-6-13(16)12(15)9-18/h2-8H,9-10,18H2,1H3
InChIKeyWOIRQZRFAWQQEA-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

2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline
CID 114879429
2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883138
3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 63540974
2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 61416480
2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114879522
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
CID 61416419
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
N-[(2-bromophenyl)methyl]-3-fluoro-N-methyl-2-nitroaniline
CID 61395180
2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
CID 95465608
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 62910058

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline (CID 114879482) is 2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline is CN(Cc1ccccc1F)c1cccc(Br)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is WOIRQZRFAWQQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-19(10-11-5-2-3-7-14(11)17)15-8-4-6-13(16)12(15)9-18/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline?
2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-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)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 114879482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).