N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine

C15H22FNO — CID 81347586

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
SMILESC[C@@H](NCCCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-12(13-6-8-14(16)9-7-13)17-10-2-4-15-5-3-11-18-15/h6-9,12,15,17H,2-5,10-11H2,1H3/t12-,15?/m1/s1
InChIKeyZHDJMJIMPPTXFA-KEKZHRQWSA-N
MW251.34 g/mol
LogP3.44
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine (PubChem CID 81347586) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
PubChem CID81347586
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
SMILESC[C@@H](NCCCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-12(13-6-8-14(16)9-7-13)17-10-2-4-15-5-3-11-18-15/h6-9,12,15,17H,2-5,10-11H2,1H3/t12-,15?/m1/s1
InChIKeyZHDJMJIMPPTXFA-KEKZHRQWSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283
N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
1-(3,4-difluorophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983538
N-[1-(4-iodophenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43770023
N-(2-cyclobutylethyl)-1-(4-fluorophenyl)ethanamine
CID 115688583
3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65161041
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
[4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea
CID 61039249
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine (CID 81347586) is N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine is C[C@@H](NCCCC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is ZHDJMJIMPPTXFA-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12(13-6-8-14(16)9-7-13)17-10-2-4-15-5-3-11-18-15/h6-9,12,15,17H,2-5,10-11H2,1H3/t12-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 81347586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).