N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine

C17H26FNO2 — CID 114535253

IUPACN-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2ccc(F)cc2C)CCOC1C
InChIInChI=1S/C17H26FNO2/c1-13-10-16(18)5-4-15(13)11-17(6-8-21-14(17)2)12-19-7-9-20-3/h4-5,10,14,19H,6-9,11-12H2,1-3H3
InChIKeyXUUZGCPOOXRPIT-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.71
Rot. Bonds7

About N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine

N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine (PubChem CID 114535253) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
PubChem CID114535253
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2ccc(F)cc2C)CCOC1C
InChIInChI=1S/C17H26FNO2/c1-13-10-16(18)5-4-15(13)11-17(6-8-21-14(17)2)12-19-7-9-20-3/h4-5,10,14,19H,6-9,11-12H2,1-3H3
InChIKeyXUUZGCPOOXRPIT-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 105408569
N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine
CID 114348893
N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534580
N-[[3-[(2,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534401
N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 105375069
N-[[3-[(2-chloro-6-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535272
N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535212
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 105374968
N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535168
N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534573
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 62905405
3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolane-3-carboxylic acid
CID 114533775

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine (CID 114535253) is N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine is COCCNCC1(Cc2ccc(F)cc2C)CCOC1C.
What is the InChIKey of N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is XUUZGCPOOXRPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-13-10-16(18)5-4-15(13)11-17(6-8-21-14(17)2)12-19-7-9-20-3/h4-5,10,14,19H,6-9,11-12H2,1-3H3.
What are the key properties of N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine?
N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 295.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114535253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).