(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine

C10H14BrNO2 — CID 82759020

IUPAC(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
SMILESCOc1cc(Br)c([C@@H](C)N)c(OC)c1
InChIInChI=1S/C10H14BrNO2/c1-6(12)10-8(11)4-7(13-2)5-9(10)14-3/h4-6H,12H2,1-3H3/t6-/m1/s1
InChIKeyDKWXXAAJQXXOEY-ZCFIWIBFSA-N
MW260.13 g/mol
LogP2.49
Rot. Bonds3

About (1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine

(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine (PubChem CID 82759020) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
PubChem CID82759020
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
SMILESCOc1cc(Br)c([C@@H](C)N)c(OC)c1
InChIInChI=1S/C10H14BrNO2/c1-6(12)10-8(11)4-7(13-2)5-9(10)14-3/h4-6H,12H2,1-3H3/t6-/m1/s1
InChIKeyDKWXXAAJQXXOEY-ZCFIWIBFSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)propan-1-ol
CID 82758458
hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine
CID 116947477
2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile
CID 43344273
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061
1-(4-chloro-2,6-dimethoxyphenyl)ethanamine
CID 130139712
2,6-dibromo-4-methoxyaniline
CID 542895
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine
CID 117437629
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 116914648

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine (CID 82759020) is (1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine is COc1cc(Br)c([C@@H](C)N)c(OC)c1.
What is the InChIKey of (1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine?
The InChIKey is DKWXXAAJQXXOEY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6(12)10-8(11)4-7(13-2)5-9(10)14-3/h4-6H,12H2,1-3H3/t6-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine?
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine has a molecular weight of 260.13 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 82759020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).