2-(3-aminopropyl)-3-bromo-4-methylphenol

C10H14BrNO — CID 84802468

IUPAC2-(3-aminopropyl)-3-bromo-4-methylphenol
SMILESCc1ccc(O)c(CCCN)c1Br
InChIInChI=1S/C10H14BrNO/c1-7-4-5-9(13)8(10(7)11)3-2-6-12/h4-5,13H,2-3,6,12H2,1H3
InChIKeyDCJCHAVSRHKWJY-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.35
Rot. Bonds3

About 2-(3-aminopropyl)-3-bromo-4-methylphenol

2-(3-aminopropyl)-3-bromo-4-methylphenol (PubChem CID 84802468) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(3-aminopropyl)-3-bromo-4-methylphenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-3-bromo-4-methylphenol
PubChem CID84802468
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(3-aminopropyl)-3-bromo-4-methylphenol
SMILESCc1ccc(O)c(CCCN)c1Br
InChIInChI=1S/C10H14BrNO/c1-7-4-5-9(13)8(10(7)11)3-2-6-12/h4-5,13H,2-3,6,12H2,1H3
InChIKeyDCJCHAVSRHKWJY-UHFFFAOYSA-N
XLogP2.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-bromo-4-methylphenol
CID 84784553
2-(3-aminopropyl)-3-bromo-4-fluorophenol
CID 83900223
6-(2-aminoethyl)-2-bromo-3-methylphenol
CID 84693265
2-(2-aminoethyl)-3-chloro-4-methylphenol
CID 84769890
2-(4-aminobutyl)benzene-1,3-diol
CID 117278743
2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol
CID 117468532
2-(3-aminopropyl)-3-chloro-4-fluorophenol
CID 83881714
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102
4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
CID 84806422
3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
CID 117398513
3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
CID 84774719
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-3-bromo-4-methylphenol?
The IUPAC name of 2-(3-aminopropyl)-3-bromo-4-methylphenol (CID 84802468) is 2-(3-aminopropyl)-3-bromo-4-methylphenol.
What is the SMILES notation for 2-(3-aminopropyl)-3-bromo-4-methylphenol?
The canonical SMILES for 2-(3-aminopropyl)-3-bromo-4-methylphenol is Cc1ccc(O)c(CCCN)c1Br.
What is the InChIKey of 2-(3-aminopropyl)-3-bromo-4-methylphenol?
The InChIKey is DCJCHAVSRHKWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7-4-5-9(13)8(10(7)11)3-2-6-12/h4-5,13H,2-3,6,12H2,1H3.
What are the key properties of 2-(3-aminopropyl)-3-bromo-4-methylphenol?
2-(3-aminopropyl)-3-bromo-4-methylphenol has a molecular weight of 244.13 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-3-bromo-4-methylphenol is sourced from PubChem (CID 84802468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).