N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine

C14H15BrFNO — CID 79747443

IUPACN-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNO/c1-2-6-17-14(11-5-7-18-9-11)10-3-4-13(16)12(15)8-10/h3-5,7-9,14,17H,2,6H2,1H3
InChIKeyPHWYSDOCJQPPQC-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.27
Rot. Bonds5

About N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine

N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine (PubChem CID 79747443) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
PubChem CID79747443
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC NameN-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNO/c1-2-6-17-14(11-5-7-18-9-11)10-3-4-13(16)12(15)8-10/h3-5,7-9,14,17H,2,6H2,1H3
InChIKeyPHWYSDOCJQPPQC-UHFFFAOYSA-N
XLogP4.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 82800400
N-[(3-bromo-4-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 82788217
N-[(3-bromo-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79746861
N-[(3-bromo-4-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79722695
N-[(3-bromo-4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 82800505
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 79722130
1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 79747198
N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 106849348
N-[(4-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 115851486
2-(3-bromo-4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115216
N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine
CID 114728711
N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 63947558

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine (CID 79747443) is N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine?
The InChIKey is PHWYSDOCJQPPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-2-6-17-14(11-5-7-18-9-11)10-3-4-13(16)12(15)8-10/h3-5,7-9,14,17H,2,6H2,1H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine?
N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine has a molecular weight of 312.18 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 79747443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).