(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine

C11H16BrNO — CID 164536532

IUPAC(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
SMILESCCN[C@H](C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C11H16BrNO/c1-4-13-8(2)9-5-6-11(14-3)10(12)7-9/h5-8,13H,4H2,1-3H3/t8-/m1/s1
InChIKeyQKZJZSIEPXHTLN-MRVPVSSYSA-N
MW258.16 g/mol
LogP3.13
Rot. Bonds4

About (1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine

(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine (PubChem CID 164536532) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
PubChem CID164536532
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
SMILESCCN[C@H](C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C11H16BrNO/c1-4-13-8(2)9-5-6-11(14-3)10(12)7-9/h5-8,13H,4H2,1-3H3/t8-/m1/s1
InChIKeyQKZJZSIEPXHTLN-MRVPVSSYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-bromo-4-methoxyphenyl)ethylamino]butan-2-ol
CID 64912156
3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
CID 65036741
1-(3-bromo-4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459542
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901899
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
1-(3-bromo-4-octoxyphenyl)-N-ethylethanamine
CID 63533481
1-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43769891
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine
CID 43734058
1-(3-bromo-4-methoxyphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115719847
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005702
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 107284790

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine?
The IUPAC name of (1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine (CID 164536532) is (1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for (1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine?
The canonical SMILES for (1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine is CCN[C@H](C)c1ccc(OC)c(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine?
The InChIKey is QKZJZSIEPXHTLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-4-13-8(2)9-5-6-11(14-3)10(12)7-9/h5-8,13H,4H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine?
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine has a molecular weight of 258.16 g/mol, XLogP of 3.13, 4 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-methoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 164536532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).