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

C10H14BrNO — CID 84802474

IUPAC5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
SMILESCc1cc(C(C)CN)cc(O)c1Br
InChIInChI=1S/C10H14BrNO/c1-6-3-8(7(2)5-12)4-9(13)10(6)11/h3-4,7,13H,5,12H2,1-2H3
InChIKeyRSOSOOCSSFGJGV-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.53
Rot. Bonds2

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

5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol (PubChem CID 84802474) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
PubChem CID84802474
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
SMILESCc1cc(C(C)CN)cc(O)c1Br
InChIInChI=1S/C10H14BrNO/c1-6-3-8(7(2)5-12)4-9(13)10(6)11/h3-4,7,13H,5,12H2,1-2H3
InChIKeyRSOSOOCSSFGJGV-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-amino-2-(4-bromo-3-hydroxy-5-methylphenyl)acetic acid
CID 84806320
3-(1-aminopropan-2-yl)-5-methylphenol
CID 83694991
2-(3,5-dimethylphenyl)propan-1-amine
CID 79003874
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
2-(1-aminopropan-2-yl)-3-bromo-5-methylphenol
CID 84802476
2,5-dibromo-3-methylphenol
CID 84807682
5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol
CID 117278773
4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802471
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386
2-bromo-3,5-di(propan-2-yl)phenol
CID 11550631
2-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783199
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol?
The IUPAC name of 5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol (CID 84802474) is 5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol?
The canonical SMILES for 5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol is Cc1cc(C(C)CN)cc(O)c1Br.
What is the InChIKey of 5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol?
The InChIKey is RSOSOOCSSFGJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-6-3-8(7(2)5-12)4-9(13)10(6)11/h3-4,7,13H,5,12H2,1-2H3.
What are the key properties of 5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol?
5-(1-aminopropan-2-yl)-2-bromo-3-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 5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol is sourced from PubChem (CID 84802474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).