N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine

C17H23ClFNO — CID 103048687

IUPACN-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)C1CC2CCC1O2
InChIInChI=1S/C17H23ClFNO/c1-2-7-20-16(14-10-13-4-6-17(14)21-13)9-11-8-12(18)3-5-15(11)19/h3,5,8,13-14,16-17,20H,2,4,6-7,9-10H2,1H3
InChIKeyAUGIXPYHPKEOIL-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.96
Rot. Bonds6

About N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine

N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine (PubChem CID 103048687) has the molecular formula C17H23ClFNO and a molecular weight of 311.83 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine
PubChem CID103048687
Molecular FormulaC17H23ClFNO
Molecular Weight311.83 g/mol
Exact Mass311.15
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)C1CC2CCC1O2
InChIInChI=1S/C17H23ClFNO/c1-2-7-20-16(14-10-13-4-6-17(14)21-13)9-11-8-12(18)3-5-15(11)19/h3,5,8,13-14,16-17,20H,2,4,6-7,9-10H2,1H3
InChIKeyAUGIXPYHPKEOIL-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 115983778
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107884732
N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 103052831
[2-(2-chloro-4-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]hydrazine
CID 105221490
N-[2-cyclobutyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine
CID 65458611
1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103052942
N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107187960
N-[2-(5-chloro-2-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65421949
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylhex-5-yn-1-amine
CID 113374314
N-[2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114855459
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611
1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
CID 103049082

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine (CID 103048687) is N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(Cl)ccc1F)C1CC2CCC1O2.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine?
The InChIKey is AUGIXPYHPKEOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFNO/c1-2-7-20-16(14-10-13-4-6-17(14)21-13)9-11-8-12(18)3-5-15(11)19/h3,5,8,13-14,16-17,20H,2,4,6-7,9-10H2,1H3.
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine?
N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine has a molecular weight of 311.83 g/mol, XLogP of 3.96, 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-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103048687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).