N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine

C17H26FNO — CID 105050994

IUPACN-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)Cc1ccc(F)cc1C
InChIInChI=1S/C17H26FNO/c1-3-19-16(8-9-17-5-4-10-20-17)12-14-6-7-15(18)11-13(14)2/h6-7,11,16-17,19H,3-5,8-10,12H2,1-2H3
InChIKeyGXCRWTFXYQEIAR-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.61
Rot. Bonds7

About N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine

N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine (PubChem CID 105050994) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
PubChem CID105050994
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)Cc1ccc(F)cc1C
InChIInChI=1S/C17H26FNO/c1-3-19-16(8-9-17-5-4-10-20-17)12-14-6-7-15(18)11-13(14)2/h6-7,11,16-17,19H,3-5,8-10,12H2,1-2H3
InChIKeyGXCRWTFXYQEIAR-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105050949
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105055271
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 115818461
1-(2,5-dimethylphenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993079
1-(2-bromo-5-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115843578
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
CID 114347642

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine (CID 105050994) is N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine is CCNC(CCC1CCCO1)Cc1ccc(F)cc1C.
What is the InChIKey of N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is GXCRWTFXYQEIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-19-16(8-9-17-5-4-10-20-17)12-14-6-7-15(18)11-13(14)2/h6-7,11,16-17,19H,3-5,8-10,12H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine?
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 105050994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).