5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol

C15H24BrNO — CID 110010765

IUPAC5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol
SMILESCc1cc(C(C)NCC(C)CC(C)O)ccc1Br
InChIInChI=1S/C15H24BrNO/c1-10(7-12(3)18)9-17-13(4)14-5-6-15(16)11(2)8-14/h5-6,8,10,12-13,17-18H,7,9H2,1-4H3
InChIKeyVOWCVCGNXDRRCM-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.82
Rot. Bonds6

About 5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol

5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol (PubChem CID 110010765) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol
PubChem CID110010765
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol
SMILESCc1cc(C(C)NCC(C)CC(C)O)ccc1Br
InChIInChI=1S/C15H24BrNO/c1-10(7-12(3)18)9-17-13(4)14-5-6-15(16)11(2)8-14/h5-6,8,10,12-13,17-18H,7,9H2,1-4H3
InChIKeyVOWCVCGNXDRRCM-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-(4-bromo-3-methylphenyl)pentan-2-ol
CID 81421956
1-(4-bromo-3-methylphenyl)ethylhydrazine
CID 53402303
4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol
CID 113376154
4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 66090823
3-(4-bromo-3-methylphenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide
CID 96570209
(2S,4R)-4-methyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pentan-2-ol
CID 129378741
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
(2R)-2-[1-(4-bromo-3-methylphenyl)ethylamino]butan-1-ol
CID 103949550
(2S)-1-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226
2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol
CID 66480993
[1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol
CID 115976164
(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 124567296

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol?
The IUPAC name of 5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol (CID 110010765) is 5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol?
The canonical SMILES for 5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol is Cc1cc(C(C)NCC(C)CC(C)O)ccc1Br.
What is the InChIKey of 5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol?
The InChIKey is VOWCVCGNXDRRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-10(7-12(3)18)9-17-13(4)14-5-6-15(16)11(2)8-14/h5-6,8,10,12-13,17-18H,7,9H2,1-4H3.
What are the key properties of 5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol?
5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol has a molecular weight of 314.27 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromo-3-methylphenyl)ethylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 110010765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).