(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine

C14H22BrNO — CID 55220592

IUPAC(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
SMILESCCCCCCOc1ccc(Br)cc1[C@@H](C)N
InChIInChI=1S/C14H22BrNO/c1-3-4-5-6-9-17-14-8-7-12(15)10-13(14)11(2)16/h7-8,10-11H,3-6,9,16H2,1-2H3/t11-/m1/s1
InChIKeyGZYZDMNBVDFWTI-LLVKDONJSA-N
MW300.24 g/mol
LogP4.43
Rot. Bonds7

About (1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine

(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine (PubChem CID 55220592) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
PubChem CID55220592
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
SMILESCCCCCCOc1ccc(Br)cc1[C@@H](C)N
InChIInChI=1S/C14H22BrNO/c1-3-4-5-6-9-17-14-8-7-12(15)10-13(14)11(2)16/h7-8,10-11H,3-6,9,16H2,1-2H3/t11-/m1/s1
InChIKeyGZYZDMNBVDFWTI-LLVKDONJSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 78937285
(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
CID 102946514
1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63533540
(1R)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63532943
(1S)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 78944591
(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
1-(5-bromo-2-octoxyphenyl)propan-2-amine
CID 63421163
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanamine
CID 104893814
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
CID 63367823
(1S)-1-[5-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863285

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine (CID 55220592) is (1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine is CCCCCCOc1ccc(Br)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine?
The InChIKey is GZYZDMNBVDFWTI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-4-5-6-9-17-14-8-7-12(15)10-13(14)11(2)16/h7-8,10-11H,3-6,9,16H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine?
(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine has a molecular weight of 300.24 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine is sourced from PubChem (CID 55220592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).