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

C14H20FNO — CID 113243463

IUPACN-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
SMILESCCC(NCc1ccccc1F)C1CCOC1
InChIInChI=1S/C14H20FNO/c1-2-14(12-7-8-17-10-12)16-9-11-5-3-4-6-13(11)15/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyPRMICSKUGWUAHD-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.73
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine (PubChem CID 113243463) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
PubChem CID113243463
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
SMILESCCC(NCc1ccccc1F)C1CCOC1
InChIInChI=1S/C14H20FNO/c1-2-14(12-7-8-17-10-12)16-9-11-5-3-4-6-13(11)15/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyPRMICSKUGWUAHD-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745096
2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65330197
N'-[(2-fluorophenyl)methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745092
N-[1-(oxolan-3-yl)propyl]aniline
CID 115729358
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113347464
1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine
CID 146000033
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494
1-(oxolan-3-yl)-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 115706486
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276626
1-cyclopropyl-N-[(2,6-difluorophenyl)methyl]propan-1-amine
CID 115728904
3-cyclopropyl-3-[(2-fluorophenyl)methylamino]propan-1-ol
CID 111457458
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine (CID 113243463) is N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine is CCC(NCc1ccccc1F)C1CCOC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine?
The InChIKey is PRMICSKUGWUAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-14(12-7-8-17-10-12)16-9-11-5-3-4-6-13(11)15/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine?
N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 113243463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).