4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol

C15H24BrNO — CID 43371909

IUPAC4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol
SMILESCCC(NC(C)CC(C)C)c1cc(Br)ccc1O
InChIInChI=1S/C15H24BrNO/c1-5-14(17-11(4)8-10(2)3)13-9-12(16)6-7-15(13)18/h6-7,9-11,14,17-18H,5,8H2,1-4H3
InChIKeyWLYWZMYQKADNAX-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.63
Rot. Bonds6

About 4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol

4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol (PubChem CID 43371909) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol
PubChem CID43371909
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol
SMILESCCC(NC(C)CC(C)C)c1cc(Br)ccc1O
InChIInChI=1S/C15H24BrNO/c1-5-14(17-11(4)8-10(2)3)13-9-12(16)6-7-15(13)18/h6-7,9-11,14,17-18H,5,8H2,1-4H3
InChIKeyWLYWZMYQKADNAX-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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CID 113376022
methyl 2-[1-(5-bromo-2-hydroxyphenyl)propylamino]-4-methylpentanoate
CID 43689066
2-[1-(5-bromo-2-hydroxyphenyl)propylamino]propanoic acid
CID 54959622
4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol
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4-bromo-2-[1-[[(1S)-1-cyclopentylethyl]amino]propyl]phenol
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CID 43203242
4-bromo-2-[1-(pyrrol-1-ylamino)propyl]phenol
CID 79090589
2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide
CID 43551860
4-bromo-2-[1-(2,2,2-trifluoroethylamino)propyl]phenol
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4-bromo-2-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol?
The IUPAC name of 4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol (CID 43371909) is 4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol?
The canonical SMILES for 4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol is CCC(NC(C)CC(C)C)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol?
The InChIKey is WLYWZMYQKADNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-14(17-11(4)8-10(2)3)13-9-12(16)6-7-15(13)18/h6-7,9-11,14,17-18H,5,8H2,1-4H3.
What are the key properties of 4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol?
4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol has a molecular weight of 314.27 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol is sourced from PubChem (CID 43371909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).