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

C17H20BrNO2 — CID 61168138

IUPAC3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
SMILESCOCc1c(Br)cccc1NCc1ccc(C2CC2C)o1
InChIInChI=1S/C17H20BrNO2/c1-11-8-13(11)17-7-6-12(21-17)9-19-16-5-3-4-15(18)14(16)10-20-2/h3-7,11,13,19H,8-10H2,1-2H3
InChIKeyBTZLPHINMKTFBV-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.92
Rot. Bonds6

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

3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline (PubChem CID 61168138) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
PubChem CID61168138
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
SMILESCOCc1c(Br)cccc1NCc1ccc(C2CC2C)o1
InChIInChI=1S/C17H20BrNO2/c1-11-8-13(11)17-7-6-12(21-17)9-19-16-5-3-4-15(18)14(16)10-20-2/h3-7,11,13,19H,8-10H2,1-2H3
InChIKeyBTZLPHINMKTFBV-UHFFFAOYSA-N
XLogP4.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(methoxymethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 61167541
[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol
CID 64591230
3-bromo-N-(furan-2-ylmethyl)-2-(methoxymethyl)aniline
CID 61167539
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline
CID 43683366
N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61166186
3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43194576
N-(1,3-benzodioxol-4-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61168746
2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 65468961
1-methoxy-2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-2-amine
CID 113230760
3-bromo-N-[(4-cyclopropylphenyl)methyl]-2-(methoxymethyl)aniline
CID 79969747
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43192907

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The IUPAC name of 3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline (CID 61168138) is 3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline is COCc1c(Br)cccc1NCc1ccc(C2CC2C)o1.
What is the InChIKey of 3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The InChIKey is BTZLPHINMKTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11-8-13(11)17-7-6-12(21-17)9-19-16-5-3-4-15(18)14(16)10-20-2/h3-7,11,13,19H,8-10H2,1-2H3.
What are the key properties of 3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline has a molecular weight of 350.26 g/mol, XLogP of 4.92, 6 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-(2-methylcyclopropyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 61168138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).