N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine

C14H15BrFNO — CID 79710171

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H15BrFNO/c1-10(5-14-3-2-4-18-14)17-9-11-6-12(15)8-13(16)7-11/h2-4,6-8,10,17H,5,9H2,1H3
InChIKeyASZAIVNNEABSGJ-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.90
Rot. Bonds5

About N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine

N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 79710171) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
PubChem CID79710171
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H15BrFNO/c1-10(5-14-3-2-4-18-14)17-9-11-6-12(15)8-13(16)7-11/h2-4,6-8,10,17H,5,9H2,1H3
InChIKeyASZAIVNNEABSGJ-UHFFFAOYSA-N
XLogP3.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
N-[(3-bromo-5-fluorophenyl)methyl]-1-phenylpropan-2-amine
CID 79710487
N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 113454136
N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432954
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
CID 115634120
N-[(3-bromo-5-fluorophenyl)methyl]-1-chloropropan-2-amine
CID 79708710
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
2-fluoro-5-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzonitrile
CID 107880104
1-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43783131
1-(furan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 66398533
N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 66416684
N-[2-(3-bromo-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 79709374

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine (CID 79710171) is N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine is CC(Cc1ccco1)NCc1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine?
The InChIKey is ASZAIVNNEABSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-10(5-14-3-2-4-18-14)17-9-11-6-12(15)8-13(16)7-11/h2-4,6-8,10,17H,5,9H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine has a molecular weight of 312.18 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 79710171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).