2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline

C14H17BrN2O — CID 63786210

IUPAC2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
SMILESCN(Cc1ccoc1)c1cc(Br)ccc1CCN
InChIInChI=1S/C14H17BrN2O/c1-17(9-11-5-7-18-10-11)14-8-13(15)3-2-12(14)4-6-16/h2-3,5,7-8,10H,4,6,9,16H2,1H3
InChIKeyCOYHJHKLQQXRDX-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.18
Rot. Bonds5

About 2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline

2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline (PubChem CID 63786210) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
PubChem CID63786210
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
SMILESCN(Cc1ccoc1)c1cc(Br)ccc1CCN
InChIInChI=1S/C14H17BrN2O/c1-17(9-11-5-7-18-10-11)14-8-13(15)3-2-12(14)4-6-16/h2-3,5,7-8,10H,4,6,9,16H2,1H3
InChIKeyCOYHJHKLQQXRDX-UHFFFAOYSA-N
XLogP3.18
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 63783047
2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 55237548
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861618
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63782936
2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline
CID 65486388
[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415453
2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline
CID 63787208
1-N-(furan-3-ylmethyl)-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61422232
3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine
CID 106949132
2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62908366
2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide
CID 114278284
3-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylimidazo[1,2-a]pyridin-2-amine
CID 63786700

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline?
The IUPAC name of 2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline (CID 63786210) is 2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline is CN(Cc1ccoc1)c1cc(Br)ccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline?
The InChIKey is COYHJHKLQQXRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-17(9-11-5-7-18-10-11)14-8-13(15)3-2-12(14)4-6-16/h2-3,5,7-8,10H,4,6,9,16H2,1H3.
What are the key properties of 2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline?
2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline has a molecular weight of 309.21 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline is sourced from PubChem (CID 63786210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).