N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine

C16H16FNO2 — CID 114728711

IUPACN-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H16FNO2/c1-2-7-18-15(12-6-8-19-10-12)14-9-11-4-3-5-13(17)16(11)20-14/h3-6,8-10,15,18H,2,7H2,1H3
InChIKeyUUCCOWOKAOALHA-UHFFFAOYSA-N
MW273.31 g/mol
LogP4.25
Rot. Bonds5

About N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine

N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine (PubChem CID 114728711) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine
PubChem CID114728711
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H16FNO2/c1-2-7-18-15(12-6-8-19-10-12)14-9-11-4-3-5-13(17)16(11)20-14/h3-6,8-10,15,18H,2,7H2,1H3
InChIKeyUUCCOWOKAOALHA-UHFFFAOYSA-N
XLogP4.25
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923898
1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047391
N-[(7-fluoro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186506
N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105047452
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114727995
N-[(3-bromo-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
CID 79747443
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 82808232
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypentan-1-amine
CID 114731148
N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 114728628
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114728677

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine (CID 114728711) is N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)c1cc2cccc(F)c2o1.
What is the InChIKey of N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine?
The InChIKey is UUCCOWOKAOALHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-2-7-18-15(12-6-8-19-10-12)14-9-11-4-3-5-13(17)16(11)20-14/h3-6,8-10,15,18H,2,7H2,1H3.
What are the key properties of N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine?
N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine has a molecular weight of 273.31 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114728711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).