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

C16H24FNO — CID 65167283

IUPACN-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCCNC(CCCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO/c1-2-18-16(13-8-10-14(17)11-9-13)7-3-5-15-6-4-12-19-15/h8-11,15-16,18H,2-7,12H2,1H3
InChIKeyIGJLTDMCRANSFH-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.83
Rot. Bonds7

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

N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65167283) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID65167283
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCCNC(CCCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO/c1-2-18-16(13-8-10-14(17)11-9-13)7-3-5-15-6-4-12-19-15/h8-11,15-16,18H,2-7,12H2,1H3
InChIKeyIGJLTDMCRANSFH-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 81492098
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
N-ethyl-4-(oxolan-2-yl)-1-pyrimidin-5-ylbutan-1-amine
CID 102923511
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164611
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
N-ethyl-3-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 65164240
1-(3-bromo-5-chlorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 107946069
1-(2,5-dibromophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 104993304

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine (CID 65167283) is N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine is CCNC(CCCC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is IGJLTDMCRANSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-18-16(13-8-10-14(17)11-9-13)7-3-5-15-6-4-12-19-15/h8-11,15-16,18H,2-7,12H2,1H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine?
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.83, 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-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65167283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).