N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine

C15H17ClFNO — CID 103048611

IUPACN-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)c1ccco1
InChIInChI=1S/C15H17ClFNO/c1-2-7-18-14(15-4-3-8-19-15)10-11-9-12(16)5-6-13(11)17/h3-6,8-9,14,18H,2,7,10H2,1H3
InChIKeyQVIQBOMVRULPGB-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.36
Rot. Bonds6

About N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine

N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 103048611) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
PubChem CID103048611
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)c1ccco1
InChIInChI=1S/C15H17ClFNO/c1-2-7-18-14(15-4-3-8-19-15)10-11-9-12(16)5-6-13(11)17/h3-6,8-9,14,18H,2,7,10H2,1H3
InChIKeyQVIQBOMVRULPGB-UHFFFAOYSA-N
XLogP4.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloro-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 102618825
N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 62699285
2-(2,5-dichlorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 65321381
N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052766
1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 103053057
N-[2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048562
N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103048462
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 55104076
N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine
CID 103053234
N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103053112
N-[2-(5-chloro-2-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048671

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine (CID 103048611) is N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(Cl)ccc1F)c1ccco1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is QVIQBOMVRULPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO/c1-2-7-18-14(15-4-3-8-19-15)10-11-9-12(16)5-6-13(11)17/h3-6,8-9,14,18H,2,7,10H2,1H3.
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine?
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 281.76 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103048611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).