4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline

C14H16BrFN2O — CID 107532166

IUPAC4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CN(C)c2ccc(CN)c(Br)c2F)o1
InChIInChI=1S/C14H16BrFN2O/c1-9-3-5-11(19-9)8-18(2)12-6-4-10(7-17)13(15)14(12)16/h3-6H,7-8,17H2,1-2H3
InChIKeyWKTDZSSEUKODAZ-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.58
Rot. Bonds4

About 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline

4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 107532166) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
PubChem CID107532166
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CN(C)c2ccc(CN)c(Br)c2F)o1
InChIInChI=1S/C14H16BrFN2O/c1-9-3-5-11(19-9)8-18(2)12-6-4-10(7-17)13(15)14(12)16/h3-6H,7-8,17H2,1-2H3
InChIKeyWKTDZSSEUKODAZ-UHFFFAOYSA-N
XLogP3.58
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 107532176
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 107532417
4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 107532224
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
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-2,3-difluoro-N-methylaniline
CID 107932817
3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine
CID 81050849
1-(4-bromo-2-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60646293
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 107532389
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-2,3-difluoro-N-methylaniline
CID 107932774
4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 107932729

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline (CID 107532166) is 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline is Cc1ccc(CN(C)c2ccc(CN)c(Br)c2F)o1.
What is the InChIKey of 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is WKTDZSSEUKODAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-9-3-5-11(19-9)8-18(2)12-6-4-10(7-17)13(15)14(12)16/h3-6H,7-8,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 327.20 g/mol, XLogP of 3.58, 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-[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 107532166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).