1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine

C12H16FNO — CID 61273212

IUPAC1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1ccc(F)cc1)C1CCOC1
InChIInChI=1S/C12H16FNO/c1-14-12(10-6-7-15-8-10)9-2-4-11(13)5-3-9/h2-5,10,12,14H,6-8H2,1H3
InChIKeyJZIPPKIGEPSRMD-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.12
Rot. Bonds3

About 1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine

1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 61273212) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID61273212
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1ccc(F)cc1)C1CCOC1
InChIInChI=1S/C12H16FNO/c1-14-12(10-6-7-15-8-10)9-2-4-11(13)5-3-9/h2-5,10,12,14H,6-8H2,1H3
InChIKeyJZIPPKIGEPSRMD-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907400
N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 61276553
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65298857
1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61271037
1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012550
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
1-(4-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681196
1-(2,3-dihydro-1H-inden-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 65410726
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107289018
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603
1-(3-bromo-5-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 115856457
2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione
CID 63097508

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine (CID 61273212) is 1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine is CNC(c1ccc(F)cc1)C1CCOC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is JZIPPKIGEPSRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-12(10-6-7-15-8-10)9-2-4-11(13)5-3-9/h2-5,10,12,14H,6-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 209.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61273212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).