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

C13H18FNO — CID 115335511

IUPACN-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
SMILESCC(NC1CCOC1C)c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-9(11-4-3-5-12(14)8-11)15-13-6-7-16-10(13)2/h3-5,8-10,13,15H,6-7H2,1-2H3
InChIKeyACRSSLTUHGQTCI-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.65
Rot. Bonds3

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

N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine (PubChem CID 115335511) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
PubChem CID115335511
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
SMILESCC(NC1CCOC1C)c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-9(11-4-3-5-12(14)8-11)15-13-6-7-16-10(13)2/h3-5,8-10,13,15H,6-7H2,1-2H3
InChIKeyACRSSLTUHGQTCI-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-methyl-N-[1-[3-(1,2,4-triazol-4-yl)phenyl]ethyl]oxolan-3-amine
CID 138055540
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine
CID 81365028
2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364809
2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43078909
N-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43078452
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine
CID 115335705
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81364817
(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
CID 97358489
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine (CID 115335511) is N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine is CC(NC1CCOC1C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine?
The InChIKey is ACRSSLTUHGQTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(11-4-3-5-12(14)8-11)15-13-6-7-16-10(13)2/h3-5,8-10,13,15H,6-7H2,1-2H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine?
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine has a molecular weight of 223.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 115335511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).