1-(2-bromo-N-methylanilino)propan-2-ol

C10H14BrNO — CID 82117993

IUPAC1-(2-bromo-N-methylanilino)propan-2-ol
SMILESCC(O)CN(C)c1ccccc1Br
InChIInChI=1S/C10H14BrNO/c1-8(13)7-12(2)10-6-4-3-5-9(10)11/h3-6,8,13H,7H2,1-2H3
InChIKeyWCARNZYJXANMLI-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.27
Rot. Bonds3

About 1-(2-bromo-N-methylanilino)propan-2-ol

1-(2-bromo-N-methylanilino)propan-2-ol (PubChem CID 82117993) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 1-(2-bromo-N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-N-methylanilino)propan-2-ol
PubChem CID82117993
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name1-(2-bromo-N-methylanilino)propan-2-ol
SMILESCC(O)CN(C)c1ccccc1Br
InChIInChI=1S/C10H14BrNO/c1-8(13)7-12(2)10-6-4-3-5-9(10)11/h3-6,8,13H,7H2,1-2H3
InChIKeyWCARNZYJXANMLI-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-methyl-N-(2-methylpropyl)aniline
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CID 63371869
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
CID 62332772
2-bromo-N-methyl-N-propan-2-ylaniline
CID 53401387
1-(N-methyl-2-methylsulfonylanilino)propan-2-ol
CID 62335208
1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333548
methyl 2-(2-bromo-N-methylanilino)acetate
CID 115232844
1-(2-amino-3-chloro-N-methylanilino)propan-2-ol
CID 104834446
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-N-methylanilino)propan-2-ol?
The IUPAC name of 1-(2-bromo-N-methylanilino)propan-2-ol (CID 82117993) is 1-(2-bromo-N-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-N-methylanilino)propan-2-ol?
The canonical SMILES for 1-(2-bromo-N-methylanilino)propan-2-ol is CC(O)CN(C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromo-N-methylanilino)propan-2-ol?
The InChIKey is WCARNZYJXANMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-8(13)7-12(2)10-6-4-3-5-9(10)11/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 1-(2-bromo-N-methylanilino)propan-2-ol?
1-(2-bromo-N-methylanilino)propan-2-ol has a molecular weight of 244.13 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-N-methylanilino)propan-2-ol is sourced from PubChem (CID 82117993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).