N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine

C16H19BrFNO2 — CID 62485139

IUPACN-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc(COc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H19BrFNO2/c1-16(2,3)19-8-11-6-13(20-9-11)10-21-15-5-4-12(17)7-14(15)18/h4-7,9,19H,8,10H2,1-3H3
InChIKeyBACDAHGKXONIFU-UHFFFAOYSA-N
MW356.24 g/mol
LogP4.65
Rot. Bonds5

About N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine

N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62485139) has the molecular formula C16H19BrFNO2 and a molecular weight of 356.24 g/mol. Its IUPAC name is N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62485139
Molecular FormulaC16H19BrFNO2
Molecular Weight356.24 g/mol
Exact Mass355.06
IUPAC NameN-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc(COc2ccc(Br)cc2F)c1
InChIInChI=1S/C16H19BrFNO2/c1-16(2,3)19-8-11-6-13(20-9-11)10-21-15-5-4-12(17)7-14(15)18/h4-7,9,19H,8,10H2,1-3H3
InChIKeyBACDAHGKXONIFU-UHFFFAOYSA-N
XLogP4.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62484964
N-[[5-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62460696
N-[[5-[(2,5-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62452933
1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62450544
1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107286268
2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 66275969
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 107286269
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107286141
N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107101510
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63496470
4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene
CID 146003862

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (CID 62485139) is N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1coc(COc2ccc(Br)cc2F)c1.
What is the InChIKey of N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BACDAHGKXONIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNO2/c1-16(2,3)19-8-11-6-13(20-9-11)10-21-15-5-4-12(17)7-14(15)18/h4-7,9,19H,8,10H2,1-3H3.
What are the key properties of N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 356.24 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62485139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).