N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine

C16H23ClFNO — CID 103052831

IUPACN-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)C1COC(C)C1
InChIInChI=1S/C16H23ClFNO/c1-3-6-19-16(13-7-11(2)20-10-13)9-12-8-14(17)4-5-15(12)18/h4-5,8,11,13,16,19H,3,6-7,9-10H2,1-2H3
InChIKeyPXVOBTURGTWDOW-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.81
Rot. Bonds6

About N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine

N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine (PubChem CID 103052831) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
PubChem CID103052831
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)C1COC(C)C1
InChIInChI=1S/C16H23ClFNO/c1-3-6-19-16(13-7-11(2)20-10-13)9-12-8-14(17)4-5-15(12)18/h4-5,8,11,13,16,19H,3,6-7,9-10H2,1-2H3
InChIKeyPXVOBTURGTWDOW-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825874
N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 114825972
N-[1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114825893
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140
N-[2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114855459
1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103052942
[2-(2,5-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethyl]hydrazine
CID 105309927
N-[2-(4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825858
N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine
CID 103048687
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 106866403
N-[1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethyl]propan-1-amine
CID 114825861
N-[(4-fluoro-2,6-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106878990

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine (CID 103052831) is N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(Cl)ccc1F)C1COC(C)C1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is PXVOBTURGTWDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-3-6-19-16(13-7-11(2)20-10-13)9-12-8-14(17)4-5-15(12)18/h4-5,8,11,13,16,19H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine?
N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 299.82 g/mol, XLogP of 3.81, 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-(5-methyloxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103052831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).