N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine

C12H16FNO — CID 3156806

IUPACN-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESFc1ccccc1CNCC1CCCO1
InChIInChI=1S/C12H16FNO/c13-12-6-2-1-4-10(12)8-14-9-11-5-3-7-15-11/h1-2,4,6,11,14H,3,5,7-9H2
InChIKeyXYXJWOHQMGMWOL-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.09
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 3156806) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID3156806
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESFc1ccccc1CNCC1CCCO1
InChIInChI=1S/C12H16FNO/c13-12-6-2-1-4-10(12)8-14-9-11-5-3-7-15-11/h1-2,4,6,11,14H,3,5,7-9H2
InChIKeyXYXJWOHQMGMWOL-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 3156806) is N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine is Fc1ccccc1CNCC1CCCO1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is XYXJWOHQMGMWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-12-6-2-1-4-10(12)8-14-9-11-5-3-7-15-11/h1-2,4,6,11,14H,3,5,7-9H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 209.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 3156806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).