(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine

C15H14BrCl2N — CID 81360024

IUPAC(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrCl2N/c1-10(11-2-4-13(16)5-3-11)19-9-12-8-14(17)6-7-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyBDOKHJDJOGIMFA-SNVBAGLBSA-N
MW359.09 g/mol
LogP5.61
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine (PubChem CID 81360024) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine
PubChem CID81360024
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrCl2N/c1-10(11-2-4-13(16)5-3-11)19-9-12-8-14(17)6-7-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyBDOKHJDJOGIMFA-SNVBAGLBSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine with MolForge

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Related Compounds

1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 114842202
(1R)-N-[(2,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356867
2-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-4-chlorophenol
CID 78921856
N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 65316008
2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-4,6-dichlorophenol
CID 81359211
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
(1R)-1-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]ethanamine
CID 78921742
(1S)-1-(4-bromophenyl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 81354018
(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 83230594
(1S)-1-(4-bromophenyl)-N-[(3-chloro-4-pyridinyl)methyl]ethanamine
CID 81359257
(1S)-1-(4-bromophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 81355291
(1S)-1-(4-bromophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81360176

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine (CID 81360024) is (1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine is C[C@@H](NCc1cc(Cl)ccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine?
The InChIKey is BDOKHJDJOGIMFA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-10(11-2-4-13(16)5-3-11)19-9-12-8-14(17)6-7-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine has a molecular weight of 359.09 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 81360024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).