1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol

C12H18BrNO2 — CID 81383910

IUPAC1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN[C@@H](C)c1ccccc1Br
InChIInChI=1S/C12H18BrNO2/c1-9(14-7-10(15)8-16-2)11-5-3-4-6-12(11)13/h3-6,9-10,14-15H,7-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyHGJGQEMIRQEBDZ-RGURZIINSA-N
MW288.19 g/mol
LogP2.11
Rot. Bonds6

About 1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol

1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol (PubChem CID 81383910) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
PubChem CID81383910
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN[C@@H](C)c1ccccc1Br
InChIInChI=1S/C12H18BrNO2/c1-9(14-7-10(15)8-16-2)11-5-3-4-6-12(11)13/h3-6,9-10,14-15H,7-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyHGJGQEMIRQEBDZ-RGURZIINSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol
CID 81383192
1-[1-(2,3-dichlorophenyl)ethylamino]-3-methoxypropan-2-ol
CID 103784583
3-[1-(2-bromophenyl)ethylamino]-1,1-difluoropropan-2-ol
CID 103787908
1-(2-methoxyethoxy)-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 106990258
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81381420
2-[1-(2-bromophenyl)ethylamino]-1-cyclopropylethanol
CID 63294580
1-[1-(5-bromofuran-2-yl)ethylamino]-3-methoxypropan-2-ol
CID 104653027
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine
CID 81383492
N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
CID 43223398
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methylpropanoic acid
CID 81383114
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81387448

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol (CID 81383910) is 1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol is COCC(O)CN[C@@H](C)c1ccccc1Br.
What is the InChIKey of 1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol?
The InChIKey is HGJGQEMIRQEBDZ-RGURZIINSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-9(14-7-10(15)8-16-2)11-5-3-4-6-12(11)13/h3-6,9-10,14-15H,7-8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of 1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol?
1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol has a molecular weight of 288.19 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 81383910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).