N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine

C16H24FNO2 — CID 86779501

IUPACN-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine
SMILESCOCc1cc(CNC(C)CC2CCCO2)ccc1F
InChIInChI=1S/C16H24FNO2/c1-12(8-15-4-3-7-20-15)18-10-13-5-6-16(17)14(9-13)11-19-2/h5-6,9,12,15,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyYJHXHVRVCMFZRN-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.02
Rot. Bonds7

About N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine

N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine (PubChem CID 86779501) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine
PubChem CID86779501
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine
SMILESCOCc1cc(CNC(C)CC2CCCO2)ccc1F
InChIInChI=1S/C16H24FNO2/c1-12(8-15-4-3-7-20-15)18-10-13-5-6-16(17)14(9-13)11-19-2/h5-6,9,12,15,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyYJHXHVRVCMFZRN-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-pyrrolidine
CID 44319329
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 84589453
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methoxy-2,2,4-trimethylcyclobutan-1-amine
CID 86814542
N-[[5-(dimethoxymethyl)-2-fluorophenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 121566657
N-[[4-(methoxymethyl)phenyl]methyl]-1-(oxan-3-yl)ethanamine
CID 122131910
(2R,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10611164
(2S,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10634892
(2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10796683
(2R,4R,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10848744
2-methoxy-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 10829751
(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-(2-methoxyethyl)-1-phenylethanamine
CID 18392783
3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 18435048

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine?
The IUPAC name of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine (CID 86779501) is N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine is COCc1cc(CNC(C)CC2CCCO2)ccc1F.
What is the InChIKey of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine?
The InChIKey is YJHXHVRVCMFZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12(8-15-4-3-7-20-15)18-10-13-5-6-16(17)14(9-13)11-19-2/h5-6,9,12,15,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine?
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine has a molecular weight of 281.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 86779501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).