(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine

C12H18BrNO2 — CID 781010

IUPAC(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@@H](C)NCc1ccc(OC)c(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-9(8-15-2)14-7-10-4-5-12(16-3)11(13)6-10/h4-6,9,14H,7-8H2,1-3H3/t9-/m1/s1
InChIKeyXOIGPIHILBZHIL-SECBINFHSA-N
MW288.19 g/mol
LogP2.58
Rot. Bonds6

About (2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine

(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 781010) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is (2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine
PubChem CID781010
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@@H](C)NCc1ccc(OC)c(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-9(8-15-2)14-7-10-4-5-12(16-3)11(13)6-10/h4-6,9,14H,7-8H2,1-3H3/t9-/m1/s1
InChIKeyXOIGPIHILBZHIL-SECBINFHSA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43221071
N-[(3-bromo-4-methoxyphenyl)methyl]octan-2-amine
CID 43220775
1-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 107859064
2-[(3-bromo-4-methoxyphenyl)methylamino]propanenitrile
CID 115130128
2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol
CID 103602773
methyl 2-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690959
(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 775205
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348422
N-[(3-bromo-4-methoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 113429904
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 29223820
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of (2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine (CID 781010) is (2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for (2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for (2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine is COC[C@@H](C)NCc1ccc(OC)c(Br)c1.
What is the InChIKey of (2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is XOIGPIHILBZHIL-SECBINFHSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-9(8-15-2)14-7-10-4-5-12(16-3)11(13)6-10/h4-6,9,14H,7-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine has a molecular weight of 288.19 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 781010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).