N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine

C15H22FNO — CID 115791948

IUPACN-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)C1CCC(C)O1
InChIInChI=1S/C15H22FNO/c1-3-9-17-15(14-8-7-11(2)18-14)12-5-4-6-13(16)10-12/h4-6,10-11,14-15,17H,3,7-9H2,1-2H3
InChIKeyYTUKLQXJAIDLMH-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.43
Rot. Bonds5

About N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine

N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 115791948) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID115791948
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)C1CCC(C)O1
InChIInChI=1S/C15H22FNO/c1-3-9-17-15(14-8-7-11(2)18-14)12-5-4-6-13(16)10-12/h4-6,10-11,14-15,17H,3,7-9H2,1-2H3
InChIKeyYTUKLQXJAIDLMH-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115796924
N-[7-bicyclo[4.1.0]heptanyl-(3-fluorophenyl)methyl]propan-1-amine
CID 115791823
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330623
N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 107515367
N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988409
N-[(2-ethylcyclohexyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63861829
N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050748
N-[(4-methoxy-3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 83045842
N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 105019030
N-[(3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622794
N-[2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115840490

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine (CID 115791948) is N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)C1CCC(C)O1.
What is the InChIKey of N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is YTUKLQXJAIDLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-9-17-15(14-8-7-11(2)18-14)12-5-4-6-13(16)10-12/h4-6,10-11,14-15,17H,3,7-9H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine?
N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115791948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).