1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine

C14H20FNO — CID 107130447

IUPAC1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1ccc(C)c(F)c1)C1CCCCO1
InChIInChI=1S/C14H20FNO/c1-10-6-7-11(9-12(10)15)14(16-2)13-5-3-4-8-17-13/h6-7,9,13-14,16H,3-5,8H2,1-2H3
InChIKeyBWQTUJHUHOHSPY-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.96
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine

1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 107130447) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID107130447
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1ccc(C)c(F)c1)C1CCCCO1
InChIInChI=1S/C14H20FNO/c1-10-6-7-11(9-12(10)15)14(16-2)13-5-3-4-8-17-13/h6-7,9,13-14,16H,3-5,8H2,1-2H3
InChIKeyBWQTUJHUHOHSPY-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-fluoro-4-methylphenyl)-(oxan-2-yl)methyl]hydrazine
CID 107131023
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 65328286
N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741
1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481199
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
CID 105050817
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107293658
1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 63509253
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 104657440
N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine
CID 103302330

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine (CID 107130447) is 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine is CNC(c1ccc(C)c(F)c1)C1CCCCO1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is BWQTUJHUHOHSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-6-7-11(9-12(10)15)14(16-2)13-5-3-4-8-17-13/h6-7,9,13-14,16H,3-5,8H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine?
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 107130447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).