N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine

C15H17BrFNO — CID 107130022

IUPACN-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1)c1ccoc1Br
InChIInChI=1S/C15H17BrFNO/c1-3-7-18-14(12-6-8-19-15(12)16)11-5-4-10(2)13(17)9-11/h4-6,8-9,14,18H,3,7H2,1-2H3
InChIKeyYKNMKAOWXDVMCO-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.58
Rot. Bonds5

About N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine

N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine (PubChem CID 107130022) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
PubChem CID107130022
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC NameN-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1)c1ccoc1Br
InChIInChI=1S/C15H17BrFNO/c1-3-7-18-14(12-6-8-19-15(12)16)11-5-4-10(2)13(17)9-11/h4-6,8-9,14,18H,3,7H2,1-2H3
InChIKeyYKNMKAOWXDVMCO-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromofuran-3-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 106851661
N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 106851874
N-[(2-bromofuran-3-yl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 106858239
N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 106851680
N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine
CID 106851925
N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 106851633
N-[(2-bromo-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130545
N-[(2-bromofuran-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 106851805
N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 106851671
N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 106857656
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
N-[(5-bromo-2-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130343

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine (CID 107130022) is N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(F)c1)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
The InChIKey is YKNMKAOWXDVMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-3-7-18-14(12-6-8-19-15(12)16)11-5-4-10(2)13(17)9-11/h4-6,8-9,14,18H,3,7H2,1-2H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine has a molecular weight of 326.21 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 107130022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).