N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride

C21H21BrClNO — CID 17156869

IUPACN-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride
SMILESBrc1cc(CNCc2ccccc2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C21H20BrNO.ClH/c22-20-13-19(15-23-14-17-7-3-1-4-8-17)11-12-21(20)24-16-18-9-5-2-6-10-18;/h1-13,23H,14-16H2;1H
InChIKeyGFOZINXUHNCUHP-UHFFFAOYSA-N
MW418.76 g/mol
LogP5.74
Rot. Bonds7

About N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride

N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride (PubChem CID 17156869) has the molecular formula C21H21BrClNO and a molecular weight of 418.76 g/mol. Its IUPAC name is N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride
PubChem CID17156869
Molecular FormulaC21H21BrClNO
Molecular Weight418.76 g/mol
Exact Mass417.05
IUPAC NameN-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride
SMILESBrc1cc(CNCc2ccccc2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C21H20BrNO.ClH/c22-20-13-19(15-23-14-17-7-3-1-4-8-17)11-12-21(20)24-16-18-9-5-2-6-10-18;/h1-13,23H,14-16H2;1H
InChIKeyGFOZINXUHNCUHP-UHFFFAOYSA-N
XLogP5.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.76
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;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

4-[[(3-bromo-4-phenylmethoxyphenyl)methylamino]methyl]benzoic acid
CID 17158211
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]ethanol
CID 17157109
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117493046
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]pentan-1-amine;hydrochloride
CID 17157670
N'-[(3-bromo-4-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215801
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]pentan-1-amine
CID 17157671
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209158
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17158503
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17157143
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 78870232
1-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 17057033
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63046886

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride (CID 17156869) is N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride is Brc1cc(CNCc2ccccc2)ccc1OCc1ccccc1.Cl.
What is the InChIKey of N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride?
The InChIKey is GFOZINXUHNCUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO.ClH/c22-20-13-19(15-23-14-17-7-3-1-4-8-17)11-12-21(20)24-16-18-9-5-2-6-10-18;/h1-13,23H,14-16H2;1H.
What are the key properties of N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride?
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride has a molecular weight of 418.76 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 17156869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).