N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine

C19H22FNO2 — CID 11255511

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
SMILESFc1cccc(COc2ccc(CNCC3CCCO3)cc2)c1
InChIInChI=1S/C19H22FNO2/c20-17-4-1-3-16(11-17)14-23-18-8-6-15(7-9-18)12-21-13-19-5-2-10-22-19/h1,3-4,6-9,11,19,21H,2,5,10,12-14H2
InChIKeyOVCYRHBRFZBOLV-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.67
Rot. Bonds7

About N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 11255511) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
PubChem CID11255511
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
SMILESFc1cccc(COc2ccc(CNCC3CCCO3)cc2)c1
InChIInChI=1S/C19H22FNO2/c20-17-4-1-3-16(11-17)14-23-18-8-6-15(7-9-18)12-21-13-19-5-2-10-22-19/h1,3-4,6-9,11,19,21H,2,5,10,12-14H2
InChIKeyOVCYRHBRFZBOLV-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine
CID 11301932
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 27108901
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27108899
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 27137747
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45199675
2-(3-fluorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961557
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 91656930
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42542215
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26343572
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 25292090
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 11393202

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine (CID 11255511) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine is Fc1cccc(COc2ccc(CNCC3CCCO3)cc2)c1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is OVCYRHBRFZBOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c20-17-4-1-3-16(11-17)14-23-18-8-6-15(7-9-18)12-21-13-19-5-2-10-22-19/h1,3-4,6-9,11,19,21H,2,5,10,12-14H2.
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 315.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 11255511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).