2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride

C18H22BrClFNO2 — CID 17289552

IUPAC2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)NCc1cc(Br)ccc1OCc1ccc(F)cc1.Cl
InChIInChI=1S/C18H21BrFNO2.ClH/c1-18(2,12-22)21-10-14-9-15(19)5-8-17(14)23-11-13-3-6-16(20)7-4-13;/h3-9,21-22H,10-12H2,1-2H3;1H
InChIKeyAJOSNFIDTWDQFN-UHFFFAOYSA-N
MW418.73 g/mol
LogP4.45
Rot. Bonds7

About 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride

2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride (PubChem CID 17289552) has the molecular formula C18H22BrClFNO2 and a molecular weight of 418.73 g/mol. Its IUPAC name is 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
PubChem CID17289552
Molecular FormulaC18H22BrClFNO2
Molecular Weight418.73 g/mol
Exact Mass417.05
IUPAC Name2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)NCc1cc(Br)ccc1OCc1ccc(F)cc1.Cl
InChIInChI=1S/C18H21BrFNO2.ClH/c1-18(2,12-22)21-10-14-9-15(19)5-8-17(14)23-11-13-3-6-16(20)7-4-13;/h3-9,21-22H,10-12H2,1-2H3;1H
InChIKeyAJOSNFIDTWDQFN-UHFFFAOYSA-N
XLogP4.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.73
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17055271
2-[2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 4720668
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291422
N'-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17295184
2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 28724862
2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 834073
N-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63057171
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17157143
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721508
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 4715475
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 2983714

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride (CID 17289552) is 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride is CC(C)(CO)NCc1cc(Br)ccc1OCc1ccc(F)cc1.Cl.
What is the InChIKey of 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride?
The InChIKey is AJOSNFIDTWDQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFNO2.ClH/c1-18(2,12-22)21-10-14-9-15(19)5-8-17(14)23-11-13-3-6-16(20)7-4-13;/h3-9,21-22H,10-12H2,1-2H3;1H.
What are the key properties of 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride?
2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride has a molecular weight of 418.73 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 17289552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).