4-(4-aminobutan-2-yl)-3-bromophenol

C10H14BrNO — CID 82622374

IUPAC4-(4-aminobutan-2-yl)-3-bromophenol
SMILESCC(CCN)c1ccc(O)cc1Br
InChIInChI=1S/C10H14BrNO/c1-7(4-5-12)9-3-2-8(13)6-10(9)11/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyGKFZTNKTVBCSOS-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.61
Rot. Bonds3

About 4-(4-aminobutan-2-yl)-3-bromophenol

4-(4-aminobutan-2-yl)-3-bromophenol (PubChem CID 82622374) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-(4-aminobutan-2-yl)-3-bromophenol.

Molecular Properties

Compound Name4-(4-aminobutan-2-yl)-3-bromophenol
PubChem CID82622374
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-(4-aminobutan-2-yl)-3-bromophenol
SMILESCC(CCN)c1ccc(O)cc1Br
InChIInChI=1S/C10H14BrNO/c1-7(4-5-12)9-3-2-8(13)6-10(9)11/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyGKFZTNKTVBCSOS-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117461466
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048
2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol
CID 117461468
2-(4-aminobutan-2-yl)-5-bromo-4-chlorophenol
CID 84811450
3-bromo-4-(difluoromethyl)phenol
CID 84688064
2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
CID 117437677
4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84811290
(1S)-1-(2-bromo-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221661
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
3-[2-(difluoromethyl)-5-methylphenyl]butan-1-amine
CID 117304369
2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol
CID 117483916
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutan-2-yl)-3-bromophenol?
The IUPAC name of 4-(4-aminobutan-2-yl)-3-bromophenol (CID 82622374) is 4-(4-aminobutan-2-yl)-3-bromophenol.
What is the SMILES notation for 4-(4-aminobutan-2-yl)-3-bromophenol?
The canonical SMILES for 4-(4-aminobutan-2-yl)-3-bromophenol is CC(CCN)c1ccc(O)cc1Br.
What is the InChIKey of 4-(4-aminobutan-2-yl)-3-bromophenol?
The InChIKey is GKFZTNKTVBCSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7(4-5-12)9-3-2-8(13)6-10(9)11/h2-3,6-7,13H,4-5,12H2,1H3.
What are the key properties of 4-(4-aminobutan-2-yl)-3-bromophenol?
4-(4-aminobutan-2-yl)-3-bromophenol has a molecular weight of 244.13 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutan-2-yl)-3-bromophenol is sourced from PubChem (CID 82622374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).