N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine

C15H22FNO — CID 62383669

IUPACN-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCC(OC1CCC1)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-11(2)17-10-15(18-12-6-5-7-12)13-8-3-4-9-14(13)16/h3-4,8-9,11-12,15,17H,5-7,10H2,1-2H3
InChIKeyZIRJXSYYEOPOOV-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.43
Rot. Bonds6

About N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine

N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine (PubChem CID 62383669) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine
PubChem CID62383669
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCC(OC1CCC1)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-11(2)17-10-15(18-12-6-5-7-12)13-8-3-4-9-14(13)16/h3-4,8-9,11-12,15,17H,5-7,10H2,1-2H3
InChIKeyZIRJXSYYEOPOOV-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclohexyloxy-2-(2-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 62106464
2-cyclohexyloxy-2-(2-fluorophenyl)ethanamine
CID 55018547
N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62108612
N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
CID 62108052
N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 82006977
N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 82933173
N-[2-(4-chlorophenyl)-2-cyclobutyloxyethyl]propan-2-amine
CID 62382200
N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
CID 63475562
2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
CID 62109896
N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]propan-2-amine
CID 102607723
2-(2-fluorophenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
CID 62107035
1-cyclopentyloxy-1-(2-fluorophenyl)butan-2-amine
CID 55018597

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine (CID 62383669) is N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine is CC(C)NCC(OC1CCC1)c1ccccc1F.
What is the InChIKey of N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is ZIRJXSYYEOPOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(2)17-10-15(18-12-6-5-7-12)13-8-3-4-9-14(13)16/h3-4,8-9,11-12,15,17H,5-7,10H2,1-2H3.
What are the key properties of N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine?
N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 251.34 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 62383669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).