N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine

C13H16FNO — CID 114732869

IUPACN-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1cc2cc(F)ccc2o1
InChIInChI=1S/C13H16FNO/c1-2-6-15-7-5-12-9-10-8-11(14)3-4-13(10)16-12/h3-4,8-9,15H,2,5-7H2,1H3
InChIKeyKDOLKIXCIHDUDW-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine

N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine (PubChem CID 114732869) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
PubChem CID114732869
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC NameN-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1cc2cc(F)ccc2o1
InChIInChI=1S/C13H16FNO/c1-2-6-15-7-5-12-9-10-8-11(14)3-4-13(10)16-12/h3-4,8-9,15H,2,5-7H2,1H3
InChIKeyKDOLKIXCIHDUDW-UHFFFAOYSA-N
XLogP3.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735578
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)hexan-3-amine
CID 114733396
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate
CID 114732712
N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 70555736
5-(5-fluoro-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734790
5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran
CID 117175998
2-propyl-1-benzofuran-5-amine
CID 22132951
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine
CID 114733353
N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440731
1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine
CID 114731017

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine (CID 114732869) is N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine is CCCNCCc1cc2cc(F)ccc2o1.
What is the InChIKey of N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine?
The InChIKey is KDOLKIXCIHDUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-2-6-15-7-5-12-9-10-8-11(14)3-4-13(10)16-12/h3-4,8-9,15H,2,5-7H2,1H3.
What are the key properties of N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine?
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine has a molecular weight of 221.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114732869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).