N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine

C14H20FNO — CID 112639555

IUPACN-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine
SMILESCCC(NC1CCOC1C)c1ccccc1F
InChIInChI=1S/C14H20FNO/c1-3-13(11-6-4-5-7-12(11)15)16-14-8-9-17-10(14)2/h4-7,10,13-14,16H,3,8-9H2,1-2H3
InChIKeyPGQBRGZEGRKVML-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.04
Rot. Bonds4

About N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine

N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine (PubChem CID 112639555) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine
PubChem CID112639555
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine
SMILESCCC(NC1CCOC1C)c1ccccc1F
InChIInChI=1S/C14H20FNO/c1-3-13(11-6-4-5-7-12(11)15)16-14-8-9-17-10(14)2/h4-7,10,13-14,16H,3,8-9H2,1-2H3
InChIKeyPGQBRGZEGRKVML-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 97238303
1-ethyl-N-[(1R)-1-(2-fluorophenyl)propyl]piperidin-4-amine
CID 99717003
1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 112631436
N-[1-(2-fluorophenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115994378
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
(2-fluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115781704
N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid
CID 112680220
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 82962821
N-(1-cyclopropylpropyl)-2-methyloxolan-3-amine
CID 82725942
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine (CID 112639555) is N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine is CCC(NC1CCOC1C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine?
The InChIKey is PGQBRGZEGRKVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-13(11-6-4-5-7-12(11)15)16-14-8-9-17-10(14)2/h4-7,10,13-14,16H,3,8-9H2,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine?
N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine has a molecular weight of 237.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 112639555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).