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

C24H27BrClNO2 — CID 17055246

IUPAC2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCc1ccc(COc2ccc(Br)cc2CNC(C)C(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C24H26BrNO2.ClH/c1-17-8-10-19(11-9-17)16-28-23-13-12-22(25)14-21(23)15-26-18(2)24(27)20-6-4-3-5-7-20;/h3-14,18,24,26-27H,15-16H2,1-2H3;1H
InChIKeyRHHCISWLCFLCHW-UHFFFAOYSA-N
MW476.84 g/mol
LogP5.97
Rot. Bonds8

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

2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride (PubChem CID 17055246) has the molecular formula C24H27BrClNO2 and a molecular weight of 476.84 g/mol. Its IUPAC name is 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
PubChem CID17055246
Molecular FormulaC24H27BrClNO2
Molecular Weight476.84 g/mol
Exact Mass475.09
IUPAC Name2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCc1ccc(COc2ccc(Br)cc2CNC(C)C(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C24H26BrNO2.ClH/c1-17-8-10-19(11-9-17)16-28-23-13-12-22(25)14-21(23)15-26-18(2)24(27)20-6-4-3-5-7-20;/h3-14,18,24,26-27H,15-16H2,1-2H3;1H
InChIKeyRHHCISWLCFLCHW-UHFFFAOYSA-N
XLogP5.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.84
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055248
2-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol
CID 17054532
(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 27155496
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
(1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993677
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211168
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291422
2-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17333414
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17055271

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride (CID 17055246) is 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride is Cc1ccc(COc2ccc(Br)cc2CNC(C)C(O)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is RHHCISWLCFLCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrNO2.ClH/c1-17-8-10-19(11-9-17)16-28-23-13-12-22(25)14-21(23)15-26-18(2)24(27)20-6-4-3-5-7-20;/h3-14,18,24,26-27H,15-16H2,1-2H3;1H.
What are the key properties of 2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride?
2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 476.84 g/mol, XLogP of 5.97, 8 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-methylphenyl)methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 17055246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).