N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine

C17H26FNO — CID 65167136

IUPACN-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
SMILESCCNC(CCCC1CCCO1)Cc1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-2-19-16(5-3-6-17-7-4-12-20-17)13-14-8-10-15(18)11-9-14/h8-11,16-17,19H,2-7,12-13H2,1H3
InChIKeyPQVUILVLPHHYSO-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.70
Rot. Bonds8

About N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine

N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 65167136) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
PubChem CID65167136
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
SMILESCCNC(CCCC1CCCO1)Cc1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-2-19-16(5-3-6-17-7-4-12-20-17)13-14-8-10-15(18)11-9-14/h8-11,16-17,19H,2-7,12-13H2,1H3
InChIKeyPQVUILVLPHHYSO-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283
N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 115818461
2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166335
1-(2,5-dimethylphenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993079
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105050949
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane
CID 66042483
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine
CID 65164198

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine (CID 65167136) is N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine is CCNC(CCCC1CCCO1)Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is PQVUILVLPHHYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-2-19-16(5-3-6-17-7-4-12-20-17)13-14-8-10-15(18)11-9-14/h8-11,16-17,19H,2-7,12-13H2,1H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine?
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 3.70, 8 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)-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 65167136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).