(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine

C12H19BrN2O — CID 63367823

IUPAC(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Br)ccc1OCCN(C)C
InChIInChI=1S/C12H19BrN2O/c1-9(14)11-8-10(13)4-5-12(11)16-7-6-15(2)3/h4-5,8-9H,6-7,14H2,1-3H3/t9-/m1/s1
InChIKeyVAGDEOZQMPJXFP-SECBINFHSA-N
MW287.20 g/mol
LogP2.41
Rot. Bonds5

About (1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine

(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine (PubChem CID 63367823) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
PubChem CID63367823
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Br)ccc1OCCN(C)C
InChIInChI=1S/C12H19BrN2O/c1-9(14)11-8-10(13)4-5-12(11)16-7-6-15(2)3/h4-5,8-9H,6-7,14H2,1-3H3/t9-/m1/s1
InChIKeyVAGDEOZQMPJXFP-SECBINFHSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 78936500
(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
(1S)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 78937285
(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 55220592
(1S)-1-[5-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863285
(1S)-1-(5-bromo-2-pent-3-ynoxyphenyl)ethanamine
CID 104805228
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82975362
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
3-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methylpropanamide
CID 55191169
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide
CID 55189402
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanamine
CID 104893814

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine (CID 63367823) is (1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine is C[C@@H](N)c1cc(Br)ccc1OCCN(C)C.
What is the InChIKey of (1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine?
The InChIKey is VAGDEOZQMPJXFP-SECBINFHSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-9(14)11-8-10(13)4-5-12(11)16-7-6-15(2)3/h4-5,8-9H,6-7,14H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine?
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine has a molecular weight of 287.20 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 63367823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).