N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine

C16H23F2NO — CID 115824180

IUPACN-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)C1OCCC1C
InChIInChI=1S/C16H23F2NO/c1-3-7-19-15(16-11(2)6-8-20-16)9-12-4-5-13(17)10-14(12)18/h4-5,10-11,15-16,19H,3,6-9H2,1-2H3
InChIKeyHGAMAWAFSOSLKP-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine

N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine (PubChem CID 115824180) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
PubChem CID115824180
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC NameN-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)C1OCCC1C
InChIInChI=1S/C16H23F2NO/c1-3-7-19-15(16-11(2)6-8-20-16)9-12-4-5-13(17)10-14(12)18/h4-5,10-11,15-16,19H,3,6-9H2,1-2H3
InChIKeyHGAMAWAFSOSLKP-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
N-[2-(3-bromo-5-fluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105015553
N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine
CID 65414201
N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65353005
N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115786402
N-[2-(3-chloro-4-pyridinyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 112655711
2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105412613
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115843648
N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107187960
N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105022561
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 105028143

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine (CID 115824180) is N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1F)C1OCCC1C.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is HGAMAWAFSOSLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-3-7-19-15(16-11(2)6-8-20-16)9-12-4-5-13(17)10-14(12)18/h4-5,10-11,15-16,19H,3,6-9H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine?
N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115824180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).