(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine

C15H15BrClN — CID 28645148

IUPAC(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClN/c1-11(13-5-7-15(17)8-6-13)18-10-12-3-2-4-14(16)9-12/h2-9,11,18H,10H2,1H3/t11-/m1/s1
InChIKeyYRHDGNQADNMYBK-LLVKDONJSA-N
MW324.65 g/mol
LogP4.95
Rot. Bonds4

About (1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine

(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine (PubChem CID 28645148) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is (1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
PubChem CID28645148
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClN/c1-11(13-5-7-15(17)8-6-13)18-10-12-3-2-4-14(16)9-12/h2-9,11,18H,10H2,1H3/t11-/m1/s1
InChIKeyYRHDGNQADNMYBK-LLVKDONJSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
CID 61401322
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 81353451
1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 43426655
[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol
CID 103729618
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82964641

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine (CID 28645148) is (1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine is C[C@@H](NCc1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The InChIKey is YRHDGNQADNMYBK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-11(13-5-7-15(17)8-6-13)18-10-12-3-2-4-14(16)9-12/h2-9,11,18H,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine has a molecular weight of 324.65 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 28645148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).