4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol

C15H22BrNO2 — CID 104925865

IUPAC4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol
SMILESCCC(NCC1(OC)CCC1)c1cc(Br)ccc1O
InChIInChI=1S/C15H22BrNO2/c1-3-13(12-9-11(16)5-6-14(12)18)17-10-15(19-2)7-4-8-15/h5-6,9,13,17-18H,3-4,7-8,10H2,1-2H3
InChIKeyRVTWXVLLXCZUFU-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.76
Rot. Bonds6

About 4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol

4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol (PubChem CID 104925865) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol
PubChem CID104925865
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol
SMILESCCC(NCC1(OC)CCC1)c1cc(Br)ccc1O
InChIInChI=1S/C15H22BrNO2/c1-3-13(12-9-11(16)5-6-14(12)18)17-10-15(19-2)7-4-8-15/h5-6,9,13,17-18H,3-4,7-8,10H2,1-2H3
InChIKeyRVTWXVLLXCZUFU-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 43190151
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4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol
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4-bromo-2-[1-(2,2-diethoxyethylamino)propyl]phenol
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4-bromo-2-[1-[(3-methylcyclobutyl)amino]propyl]phenol
CID 113467135
4-bromo-2-[1-[(6-methoxy-3-pyridinyl)methylamino]propyl]phenol
CID 43097149
4-bromo-2-[1-(pyrrol-1-ylamino)propyl]phenol
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4-bromo-2-[1-[(3,3-difluoro-2-hydroxypropyl)amino]propyl]phenol
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2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide
CID 43551860
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CID 104924511

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol?
The IUPAC name of 4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol (CID 104925865) is 4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol?
The canonical SMILES for 4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol is CCC(NCC1(OC)CCC1)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol?
The InChIKey is RVTWXVLLXCZUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-13(12-9-11(16)5-6-14(12)18)17-10-15(19-2)7-4-8-15/h5-6,9,13,17-18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol?
4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol has a molecular weight of 328.25 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-[(1-methoxycyclobutyl)methylamino]propyl]phenol is sourced from PubChem (CID 104925865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).