3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline

C14H16BrNO2 — CID 61167541

IUPAC3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCOCc1c(Br)cccc1NCc1ccc(C)o1
InChIInChI=1S/C14H16BrNO2/c1-10-6-7-11(18-10)8-16-14-5-3-4-13(15)12(14)9-17-2/h3-7,16H,8-9H2,1-2H3
InChIKeyGVKBLQPWTMYBQR-UHFFFAOYSA-N
MW310.19 g/mol
LogP4.11
Rot. Bonds5

About 3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline

3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 61167541) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
PubChem CID61167541
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCOCc1c(Br)cccc1NCc1ccc(C)o1
InChIInChI=1S/C14H16BrNO2/c1-10-6-7-11(18-10)8-16-14-5-3-4-13(15)12(14)9-17-2/h3-7,16H,8-9H2,1-2H3
InChIKeyGVKBLQPWTMYBQR-UHFFFAOYSA-N
XLogP4.11
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol
CID 64591230
3-bromo-N-(furan-2-ylmethyl)-2-(methoxymethyl)aniline
CID 61167539
3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 61168138
N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61166186
3-bromo-N-[(4-ethylphenyl)methyl]-2-(methoxymethyl)aniline
CID 63452483
3-bromo-2-(methoxymethyl)-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 78943842
3-bromo-2-(methoxymethyl)-N-[(3-methoxyphenyl)methyl]aniline
CID 61166179
N-(1,3-benzodioxol-4-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61168746
3-bromo-2-(methoxymethyl)-N-(3-methoxypropyl)aniline
CID 61166782
3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63987060
3-bromo-N-[(4-cyclopropylphenyl)methyl]-2-(methoxymethyl)aniline
CID 79969747
3-bromo-2-(methoxymethyl)-N-[(3-nitrophenyl)methyl]aniline
CID 61165980

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline (CID 61167541) is 3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline is COCc1c(Br)cccc1NCc1ccc(C)o1.
What is the InChIKey of 3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is GVKBLQPWTMYBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-10-6-7-11(18-10)8-16-14-5-3-4-13(15)12(14)9-17-2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline?
3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 310.19 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 61167541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).