(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine

C14H12BrCl2NO — CID 78944452

IUPAC(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C14H12BrCl2NO/c1-8(18)9-2-3-14(13(15)4-9)19-12-6-10(16)5-11(17)7-12/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyUIIUPEWFGZGYHA-MRVPVSSYSA-N
MW361.07 g/mol
LogP5.57
Rot. Bonds3

About (1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine

(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine (PubChem CID 78944452) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine
PubChem CID78944452
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C14H12BrCl2NO/c1-8(18)9-2-3-14(13(15)4-9)19-12-6-10(16)5-11(17)7-12/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyUIIUPEWFGZGYHA-MRVPVSSYSA-N
XLogP5.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.07
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol
CID 55221480
(1S)-1-[3-bromo-4-(4-ethoxyphenoxy)phenyl]ethanamine
CID 78937841
(1R)-1-[3-bromo-4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 78944496
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 62911214
(1R)-1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 78937846
(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78944434
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanamine
CID 55185347
3-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]-5-methoxybenzonitrile
CID 103567840
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
1-[3-bromo-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63533635

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine (CID 78944452) is (1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(Oc2cc(Cl)cc(Cl)c2)c(Br)c1.
What is the InChIKey of (1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine?
The InChIKey is UIIUPEWFGZGYHA-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c1-8(18)9-2-3-14(13(15)4-9)19-12-6-10(16)5-11(17)7-12/h2-8H,18H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine?
(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine has a molecular weight of 361.07 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 78944452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).