N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine

C16H24FNO — CID 55115903

IUPACN-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCO1)c1ccc(F)cc1C
InChIInChI=1S/C16H24FNO/c1-3-8-18-16(11-14-5-4-9-19-14)15-7-6-13(17)10-12(15)2/h6-7,10,14,16,18H,3-5,8-9,11H2,1-2H3
InChIKeyMLKZATFKEJIJQZ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.74
Rot. Bonds6

About N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine

N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine (PubChem CID 55115903) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine
PubChem CID55115903
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCO1)c1ccc(F)cc1C
InChIInChI=1S/C16H24FNO/c1-3-8-18-16(11-14-5-4-9-19-14)15-7-6-13(17)10-12(15)2/h6-7,10,14,16,18H,3-5,8-9,11H2,1-2H3
InChIKeyMLKZATFKEJIJQZ-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72711954
(1S)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72712149
Pyrrolidine, 2-(2-methoxy-3-methyl-2-butenyl)-2-phenyl-
CID 15920820
N-[(4-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 3145047
(3S,4S)-4-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
CID 46956014
4-(4-fluorophenyl)-N-(2-propan-2-yloxyethyl)oxan-4-amine
CID 53621829
N-benzyl-4-(4-fluorophenyl)oxan-4-amine
CID 72020763
(3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine
CID 92558690
(3S,4S)-4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]oxolan-3-amine
CID 92568682
(3S,4S)-4-(4-Fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine
CID 92570147
(2-Methyl-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 3144564
N-benzyl-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-fluorophenyl)propan-1-amine
CID 2893920

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine (CID 55115903) is N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine is CCCNC(CC1CCCO1)c1ccc(F)cc1C.
What is the InChIKey of N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is MLKZATFKEJIJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-8-18-16(11-14-5-4-9-19-14)15-7-6-13(17)10-12(15)2/h6-7,10,14,16,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine?
N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 55115903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).