N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine

C13H18FNO2 — CID 43090303

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCOc1ccc(CNCC2CCCO2)cc1F
InChIInChI=1S/C13H18FNO2/c1-16-13-5-4-10(7-12(13)14)8-15-9-11-3-2-6-17-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3
InChIKeyZGZAWERIVOGUMT-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.10
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 43090303) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID43090303
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCOc1ccc(CNCC2CCCO2)cc1F
InChIInChI=1S/C13H18FNO2/c1-16-13-5-4-10(7-12(13)14)8-15-9-11-3-2-6-17-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3
InChIKeyZGZAWERIVOGUMT-UHFFFAOYSA-N
XLogP2.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847965
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 834225
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7458340
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458136
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 107386627
1-cyclohexyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804211
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7579610

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 43090303) is N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine is COc1ccc(CNCC2CCCO2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is ZGZAWERIVOGUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-13-5-4-10(7-12(13)14)8-15-9-11-3-2-6-17-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 239.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 43090303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).