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

C15H21BrFNO — CID 62718189

IUPACN-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cc(Br)ccc2F)CCOC1
InChIInChI=1S/C15H21BrFNO/c1-11(2)18-9-15(5-6-19-10-15)8-12-7-13(16)3-4-14(12)17/h3-4,7,11,18H,5-6,8-10H2,1-2H3
InChIKeyWMVFOKFKSHRDKO-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.54
Rot. Bonds5

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

N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62718189) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62718189
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC NameN-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cc(Br)ccc2F)CCOC1
InChIInChI=1S/C15H21BrFNO/c1-11(2)18-9-15(5-6-19-10-15)8-12-7-13(16)3-4-14(12)17/h3-4,7,11,18H,5-6,8-10H2,1-2H3
InChIKeyWMVFOKFKSHRDKO-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55111579
3-[(5-bromo-2-fluorophenyl)methyl]-3-(bromomethyl)oxane
CID 66040862
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 103049761
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718517
1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718338
N-[[3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62717882
N-[[4-[(3-bromophenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62907138
N-[[3-[2-(3-bromophenoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718677
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 105374964
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63509584
N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 113471460

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 62718189) is N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(Cc2cc(Br)ccc2F)CCOC1.
What is the InChIKey of N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is WMVFOKFKSHRDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-11(2)18-9-15(5-6-19-10-15)8-12-7-13(16)3-4-14(12)17/h3-4,7,11,18H,5-6,8-10H2,1-2H3.
What are the key properties of N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 330.24 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-bromo-2-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62718189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).