1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine

C12H16FNO — CID 65328286

IUPAC1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1cccc(F)c1)C1CCCO1
InChIInChI=1S/C12H16FNO/c1-14-12(11-6-3-7-15-11)9-4-2-5-10(13)8-9/h2,4-5,8,11-12,14H,3,6-7H2,1H3
InChIKeyNLRJOTXOEOAXLC-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.27
Rot. Bonds3

About 1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine

1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 65328286) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID65328286
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1cccc(F)c1)C1CCCO1
InChIInChI=1S/C12H16FNO/c1-14-12(11-6-3-7-15-11)9-4-2-5-10(13)8-9/h2,4-5,8,11-12,14H,3,6-7H2,1H3
InChIKeyNLRJOTXOEOAXLC-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79093150
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
CID 105050817
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447
1-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481199
1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424185
N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine
CID 103302330
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43482564
1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine
CID 114241898
1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481680
N-[(3,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328304

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 65328286) is 1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine is CNC(c1cccc(F)c1)C1CCCO1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is NLRJOTXOEOAXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-12(11-6-3-7-15-11)9-4-2-5-10(13)8-9/h2,4-5,8,11-12,14H,3,6-7H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 209.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 65328286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).