N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine

C16H20BrNO2 — CID 62524190

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCCCOc1ccc(Br)cc1CNCc1ccc(C)o1
InChIInChI=1S/C16H20BrNO2/c1-3-8-19-16-7-5-14(17)9-13(16)10-18-11-15-6-4-12(2)20-15/h4-7,9,18H,3,8,10-11H2,1-2H3
InChIKeyGFJFHGANERTBAZ-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.43
Rot. Bonds7

About N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine

N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine (PubChem CID 62524190) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
PubChem CID62524190
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCCCOc1ccc(Br)cc1CNCc1ccc(C)o1
InChIInChI=1S/C16H20BrNO2/c1-3-8-19-16-7-5-14(17)9-13(16)10-18-11-15-6-4-12(2)20-15/h4-7,9,18H,3,8,10-11H2,1-2H3
InChIKeyGFJFHGANERTBAZ-UHFFFAOYSA-N
XLogP4.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-propoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 61013628
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29224737
N-[(5-bromo-2-butoxyphenyl)methyl]propan-1-amine
CID 43277546
1-(5-bromo-2-propoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884481
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 113227437
1-(4-bromo-2-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 55081450
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine
CID 115614925
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[(5-bromo-2-propoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 78910425
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[(5-bromo-2-propoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29224673
N-[[5-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449718

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine (CID 62524190) is N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine is CCCOc1ccc(Br)cc1CNCc1ccc(C)o1.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is GFJFHGANERTBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-3-8-19-16-7-5-14(17)9-13(16)10-18-11-15-6-4-12(2)20-15/h4-7,9,18H,3,8,10-11H2,1-2H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine?
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 338.25 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 62524190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).