N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine

C14H13BrFN — CID 834418

IUPACN-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H13BrFN/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,17H,9-10H2
InChIKeyGAVZNUSBNNCFFC-UHFFFAOYSA-N
MW294.17 g/mol
LogP3.88
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine

N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 834418) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine
PubChem CID834418
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC NameN-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H13BrFN/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,17H,9-10H2
InChIKeyGAVZNUSBNNCFFC-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine (CID 834418) is N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine is Fc1ccc(CNCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is GAVZNUSBNNCFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,17H,9-10H2.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine?
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 294.17 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 834418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).