N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine

C12H15BrFNO — CID 43609870

IUPACN-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine
SMILESFc1cc(Br)ccc1CNC1CCOCC1
InChIInChI=1S/C12H15BrFNO/c13-10-2-1-9(12(14)7-10)8-15-11-3-5-16-6-4-11/h1-2,7,11,15H,3-6,8H2
InChIKeyOTBNEQICKRXVEC-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.86
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine

N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine (PubChem CID 43609870) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine
PubChem CID43609870
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine
SMILESFc1cc(Br)ccc1CNC1CCOCC1
InChIInChI=1S/C12H15BrFNO/c13-10-2-1-9(12(14)7-10)8-15-11-3-5-16-6-4-11/h1-2,7,11,15H,3-6,8H2
InChIKeyOTBNEQICKRXVEC-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]oxan-4-amine
CID 117818253
4-(4-Bromo-2-fluorobenzyl)morpholine
CID 21914503
N-((4-fluorophenyl)methyl)oxan-4-amine
CID 28958487
3-(4-Bromophenyl)morpholine hydrochloride
CID 122156776
N-[(2-fluorophenyl)methyl]oxan-4-amine
CID 43608432
2-[[4-(4-Bromophenyl)oxan-4-yl]amino]ethanol
CID 75424289
(3R)-3-(4-bromophenyl)morpholine
CID 93713959
(2S)-2-[1-(4-bromo-2-fluorophenyl)ethylamino]propan-1-ol
CID 121516081
1-(4-bromophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43085128
3-(((2-Bromo-5-fluorophenyl)methyl)amino)propan-1-ol
CID 18671394
[(3-Bromo-4-fluorophenyl)methyl](2-methoxyethyl)amine
CID 28426383
N-[(4-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 43090143

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine (CID 43609870) is N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine is Fc1cc(Br)ccc1CNC1CCOCC1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine?
The InChIKey is OTBNEQICKRXVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-10-2-1-9(12(14)7-10)8-15-11-3-5-16-6-4-11/h1-2,7,11,15H,3-6,8H2.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine?
N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine has a molecular weight of 288.16 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]oxan-4-amine is sourced from PubChem (CID 43609870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).