1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine

C14H20FNO — CID 79703603

IUPAC1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1cc(C)cc(F)c1)C1CCOCC1
InChIInChI=1S/C14H20FNO/c1-10-7-12(9-13(15)8-10)14(16-2)11-3-5-17-6-4-11/h7-9,11,14,16H,3-6H2,1-2H3
InChIKeyPSGFLHCTSNNMSB-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.82
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine

1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 79703603) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID79703603
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1cc(C)cc(F)c1)C1CCOCC1
InChIInChI=1S/C14H20FNO/c1-10-7-12(9-13(15)8-10)14(16-2)11-3-5-17-6-4-11/h7-9,11,14,16H,3-6H2,1-2H3
InChIKeyPSGFLHCTSNNMSB-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79705578
1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907400
1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 64986686
1-(3-bromo-5-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 115856457
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65298857
1-(2,3-dihydro-1H-inden-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79703756
1-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113289751
1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016349
1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131203
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79697550
1-cyclopropyl-1-(3,5-difluorophenyl)-N-methylmethanamine;2-methylpropane-2-thiol
CID 170619298

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 79703603) is 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1cc(C)cc(F)c1)C1CCOCC1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is PSGFLHCTSNNMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-7-12(9-13(15)8-10)14(16-2)11-3-5-17-6-4-11/h7-9,11,14,16H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 79703603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).