N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine

C15H21BrFNO2 — CID 65201205

IUPACN-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COc2ccc(Br)c(F)c2)O1
InChIInChI=1S/C15H21BrFNO2/c1-10(2)18-8-12-3-4-13(20-12)9-19-11-5-6-14(16)15(17)7-11/h5-7,10,12-13,18H,3-4,8-9H2,1-2H3
InChIKeyRZNMTHHFADCBBO-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.51
Rot. Bonds6

About N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine

N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 65201205) has the molecular formula C15H21BrFNO2 and a molecular weight of 346.24 g/mol. Its IUPAC name is N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID65201205
Molecular FormulaC15H21BrFNO2
Molecular Weight346.24 g/mol
Exact Mass345.07
IUPAC NameN-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(COc2ccc(Br)c(F)c2)O1
InChIInChI=1S/C15H21BrFNO2/c1-10(2)18-8-12-3-4-13(20-12)9-19-11-5-6-14(16)15(17)7-11/h5-7,10,12-13,18H,3-4,8-9H2,1-2H3
InChIKeyRZNMTHHFADCBBO-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine 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-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 63878672
1-[5-[(3-bromo-4-fluorophenoxy)methyl]oxolan-2-yl]-N-methylmethanamine
CID 83234335
1-[5-[(4-bromo-3-methylphenoxy)methyl]oxolan-2-yl]-N-methylmethanamine
CID 83134356
N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 55077251
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
CID 65201303
3-[(4-bromo-3-fluorophenoxy)methyl]piperidine
CID 65203857
N-[[5-[(4-bromophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62454415
N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62486972
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 82958605
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 81441664

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine (CID 65201205) is N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine is CC(C)NCC1CCC(COc2ccc(Br)c(F)c2)O1.
What is the InChIKey of N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is RZNMTHHFADCBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO2/c1-10(2)18-8-12-3-4-13(20-12)9-19-11-5-6-14(16)15(17)7-11/h5-7,10,12-13,18H,3-4,8-9H2,1-2H3.
What are the key properties of N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine?
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 346.24 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromo-3-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65201205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).