(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine

C15H15BrFN — CID 28622733

IUPAC(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15BrFN/c1-11(13-4-8-15(17)9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9,11,18H,10H2,1H3/t11-/m1/s1
InChIKeyQLARMGOMGMNWRD-LLVKDONJSA-N
MW308.19 g/mol
LogP4.44
Rot. Bonds4

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

(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 28622733) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is (1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID28622733
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15BrFN/c1-11(13-4-8-15(17)9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9,11,18H,10H2,1H3/t11-/m1/s1
InChIKeyQLARMGOMGMNWRD-LLVKDONJSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43191748
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 28623639
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
(1R)-1-(4-fluorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437945
(1S)-1-(4-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81353609
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine (CID 28622733) is (1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine is C[C@@H](NCc1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of (1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is QLARMGOMGMNWRD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-11(13-4-8-15(17)9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9,11,18H,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 308.19 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 28622733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).