2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol

C10H14BrNO — CID 84802476

IUPAC2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol
SMILESCc1cc(O)c(C(C)CN)c(Br)c1
InChIInChI=1S/C10H14BrNO/c1-6-3-8(11)10(7(2)5-12)9(13)4-6/h3-4,7,13H,5,12H2,1-2H3
InChIKeyKEQXSFBSSZWIKB-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.53
Rot. Bonds2

About 2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol

2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol (PubChem CID 84802476) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol
PubChem CID84802476
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol
SMILESCc1cc(O)c(C(C)CN)c(Br)c1
InChIInChI=1S/C10H14BrNO/c1-6-3-8(11)10(7(2)5-12)9(13)4-6/h3-4,7,13H,5,12H2,1-2H3
InChIKeyKEQXSFBSSZWIKB-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid
CID 84809964
3-(2-bromo-4,6-dimethylphenyl)butan-1-amine
CID 84805272
2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol
CID 83901631
2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117433028
5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802474
3-(1-aminopropan-2-yl)-5-methylphenol
CID 83694991
3-(2-bromo-6-methoxy-4-methylphenyl)butan-1-amine
CID 84809713
2-(3,5-dimethylphenyl)propan-1-amine
CID 79003874
2-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-1-amine
CID 117433026
4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
CID 84803490
2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
CID 55276249
2-[(1S)-1-aminopropyl]-5-methylbenzene-1,3-diol
CID 55292448

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol (CID 84802476) is 2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol is Cc1cc(O)c(C(C)CN)c(Br)c1.
What is the InChIKey of 2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol?
The InChIKey is KEQXSFBSSZWIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-6-3-8(11)10(7(2)5-12)9(13)4-6/h3-4,7,13H,5,12H2,1-2H3.
What are the key properties of 2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol?
2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol has a molecular weight of 244.13 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol is sourced from PubChem (CID 84802476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).