N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine

C16H17BrClN — CID 81359219

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClN/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,19H,1-2H3/t11-,12?/m0/s1
InChIKeyNUASKHNVIGBLSZ-PXYINDEMSA-N
MW338.68 g/mol
LogP5.51
Rot. Bonds4

About N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine

N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine (PubChem CID 81359219) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
PubChem CID81359219
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClN/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,19H,1-2H3/t11-,12?/m0/s1
InChIKeyNUASKHNVIGBLSZ-PXYINDEMSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.68
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
(1S)-1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]ethanamine
CID 81354920
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
2-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]propan-2-amine
CID 43740758
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine (CID 81359219) is N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine is CC(N[C@@H](C)c1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine?
The InChIKey is NUASKHNVIGBLSZ-PXYINDEMSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,19H,1-2H3/t11-,12?/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine?
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine has a molecular weight of 338.68 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 81359219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).