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

C16H24FNO2 — CID 99815216

IUPAC(2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine
SMILESCOCc1cc(CN[C@H](C)C[C@H]2CCCO2)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/t12-,15-/m1/s1
InChIKeyYJHXHVRVCMFZRN-IUODEOHRSA-N
MW281.37 g/mol
LogP3.02
Rot. Bonds7

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

(2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine (PubChem CID 99815216) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine
PubChem CID99815216
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine
SMILESCOCc1cc(CN[C@H](C)C[C@H]2CCCO2)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/t12-,15-/m1/s1
InChIKeyYJHXHVRVCMFZRN-IUODEOHRSA-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

N-benzyl-1-(oxolan-2-yl)propan-2-amine
CID 122156962
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
1-cyclobutyl-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 115712467
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 81145628
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95628532
1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea
CID 122134358
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyloxan-4-amine
CID 107454373
2-fluoro-5-[(oxolan-2-ylmethylamino)methyl]-N,N-dipropylaniline
CID 84753353
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 834225
N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 62515858

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine?
The IUPAC name of (2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine (CID 99815216) is (2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine.
What is the SMILES notation for (2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine?
The canonical SMILES for (2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine is COCc1cc(CN[C@H](C)C[C@H]2CCCO2)ccc1F.
What is the InChIKey of (2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine?
The InChIKey is YJHXHVRVCMFZRN-IUODEOHRSA-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/t12-,15-/m1/s1.
What are the key properties of (2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine?
(2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-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 (2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine is sourced from PubChem (CID 99815216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).