N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine

C17H26FNO2 — CID 114534573

IUPACN-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cccc(OC)c2F)CCOC1C
InChIInChI=1S/C17H26FNO2/c1-4-9-19-12-17(8-10-21-13(17)2)11-14-6-5-7-15(20-3)16(14)18/h5-7,13,19H,4,8-12H2,1-3H3
InChIKeyAKJQCYUAJYWPOX-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.17
Rot. Bonds7

About N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine

N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine (PubChem CID 114534573) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
PubChem CID114534573
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cccc(OC)c2F)CCOC1C
InChIInChI=1S/C17H26FNO2/c1-4-9-19-12-17(8-10-21-13(17)2)11-14-6-5-7-15(20-3)16(14)18/h5-7,13,19H,4,8-12H2,1-3H3
InChIKeyAKJQCYUAJYWPOX-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534580
N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114933906
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 104795403
N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535253
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 107897618
[3-[(2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114533952
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 104794707
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114933904
N-[[3-[(2,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534401
N-[[3-[(2-chloro-6-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535272

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine (CID 114534573) is N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine is CCCNCC1(Cc2cccc(OC)c2F)CCOC1C.
What is the InChIKey of N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine?
The InChIKey is AKJQCYUAJYWPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-4-9-19-12-17(8-10-21-13(17)2)11-14-6-5-7-15(20-3)16(14)18/h5-7,13,19H,4,8-12H2,1-3H3.
What are the key properties of N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine?
N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114534573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).