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

C20H24FNO2 — CID 11301932

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine
SMILESFc1cccc(COc2ccc(CNCC3CCCCO3)cc2)c1
InChIInChI=1S/C20H24FNO2/c21-18-5-3-4-17(12-18)15-24-19-9-7-16(8-10-19)13-22-14-20-6-1-2-11-23-20/h3-5,7-10,12,20,22H,1-2,6,11,13-15H2
InChIKeyRPGWDQUKRSNNSJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.06
Rot. Bonds7

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

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine (PubChem CID 11301932) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine
PubChem CID11301932
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine
SMILESFc1cccc(COc2ccc(CNCC3CCCCO3)cc2)c1
InChIInChI=1S/C20H24FNO2/c21-18-5-3-4-17(12-18)15-24-19-9-7-16(8-10-19)13-22-14-20-6-1-2-11-23-20/h3-5,7-10,12,20,22H,1-2,6,11,13-15H2
InChIKeyRPGWDQUKRSNNSJ-UHFFFAOYSA-N
XLogP4.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 11255511
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
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 11393202
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
N-[(3-bromo-5-fluorophenyl)methyl]-1-(oxan-2-yl)methanamine
CID 79710773
N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 60977016
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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine (CID 11301932) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine is Fc1cccc(COc2ccc(CNCC3CCCCO3)cc2)c1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is RPGWDQUKRSNNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-18-5-3-4-17(12-18)15-24-19-9-7-16(8-10-19)13-22-14-20-6-1-2-11-23-20/h3-5,7-10,12,20,22H,1-2,6,11,13-15H2.
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 329.42 g/mol, XLogP of 4.06, 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-(oxan-2-yl)methanamine is sourced from PubChem (CID 11301932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).