5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol

C12H18BrNO — CID 81421956

IUPAC5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol
SMILESCc1cc(C(CN)CC(C)O)ccc1Br
InChIInChI=1S/C12H18BrNO/c1-8-5-10(3-4-12(8)13)11(7-14)6-9(2)15/h3-5,9,11,15H,6-7,14H2,1-2H3
InChIKeyKFZHSHONNNDOCD-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.57
Rot. Bonds4

About 5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol

5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol (PubChem CID 81421956) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol
PubChem CID81421956
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol
SMILESCc1cc(C(CN)CC(C)O)ccc1Br
InChIInChI=1S/C12H18BrNO/c1-8-5-10(3-4-12(8)13)11(7-14)6-9(2)15/h3-5,9,11,15H,6-7,14H2,1-2H3
InChIKeyKFZHSHONNNDOCD-UHFFFAOYSA-N
XLogP2.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(4-bromo-3-methylphenyl)hexan-2-ol
CID 83936364
4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol
CID 113376154
5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol
CID 110010765
2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol
CID 66480993
5-amino-4-[4-(difluoromethyl)phenyl]pentan-2-ol
CID 115525865
1-(4-bromo-3-methylphenyl)prop-2-yn-1-ol
CID 81447284
(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 124567296
5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol
CID 81422605
1-(4-bromo-3-methylphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 66474428
1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol
CID 83936347
1-(4-bromo-3-methylphenyl)ethylhydrazine
CID 53402303
5-amino-4-(furan-3-yl)pentan-2-ol
CID 81421602

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol?
The IUPAC name of 5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol (CID 81421956) is 5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol.
What is the SMILES notation for 5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol?
The canonical SMILES for 5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol is Cc1cc(C(CN)CC(C)O)ccc1Br.
What is the InChIKey of 5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol?
The InChIKey is KFZHSHONNNDOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8-5-10(3-4-12(8)13)11(7-14)6-9(2)15/h3-5,9,11,15H,6-7,14H2,1-2H3.
What are the key properties of 5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol?
5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol has a molecular weight of 272.19 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol is sourced from PubChem (CID 81421956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).