N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine

C16H19BrFNO — CID 106883535

IUPACN-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)o1)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H19BrFNO/c1-4-7-19-16(13-5-6-14(17)20-13)15-11(3)8-10(2)9-12(15)18/h5-6,8-9,16,19H,4,7H2,1-3H3
InChIKeyKAURGQRGYQFDDA-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.89
Rot. Bonds5

About N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine

N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine (PubChem CID 106883535) has the molecular formula C16H19BrFNO and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
PubChem CID106883535
Molecular FormulaC16H19BrFNO
Molecular Weight340.24 g/mol
Exact Mass339.06
IUPAC NameN-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)o1)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H19BrFNO/c1-4-7-19-16(13-5-6-14(17)20-13)15-11(3)8-10(2)9-12(15)18/h5-6,8-9,16,19H,4,7H2,1-3H3
InChIKeyKAURGQRGYQFDDA-UHFFFAOYSA-N
XLogP4.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromofuran-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496337
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881960
N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 81323088
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 106883539
N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106883579
N-[(2-fluoro-4,6-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 106883993
N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045147
N-[(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 82815308
N-[(5-bromofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine
CID 60964485
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 106881532

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine (CID 106883535) is N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)o1)c1c(C)cc(C)cc1F.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is KAURGQRGYQFDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNO/c1-4-7-19-16(13-5-6-14(17)20-13)15-11(3)8-10(2)9-12(15)18/h5-6,8-9,16,19H,4,7H2,1-3H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine?
N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 340.24 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106883535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).