N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride

C22H22Cl3NO2 — CID 17208311

IUPACN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1.Cl
InChIInChI=1S/C22H21Cl2NO2.ClH/c1-26-21-10-6-5-9-18(21)14-25-13-17-11-19(23)22(20(24)12-17)27-15-16-7-3-2-4-8-16;/h2-12,25H,13-15H2,1H3;1H
InChIKeyRRTBKIMMAGVJGO-UHFFFAOYSA-N
MW438.78 g/mol
LogP6.29
Rot. Bonds8

About N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride

N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride (PubChem CID 17208311) has the molecular formula C22H22Cl3NO2 and a molecular weight of 438.78 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
PubChem CID17208311
Molecular FormulaC22H22Cl3NO2
Molecular Weight438.78 g/mol
Exact Mass437.07
IUPAC NameN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1.Cl
InChIInChI=1S/C22H21Cl2NO2.ClH/c1-26-21-10-6-5-9-18(21)14-25-13-17-11-19(23)22(20(24)12-17)27-15-16-7-3-2-4-8-16;/h2-12,25H,13-15H2,1H3;1H
InChIKeyRRTBKIMMAGVJGO-UHFFFAOYSA-N
XLogP6.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.78
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 17208332
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208110
N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-phenylmethoxyphenyl)methanamine
CID 54855813
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288950
2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2958913
1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol
CID 4716264
N'-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215535
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288941
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 4718670
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17207976
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208009

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride (CID 17208311) is N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride is COc1ccccc1CNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1.Cl.
What is the InChIKey of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is RRTBKIMMAGVJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO2.ClH/c1-26-21-10-6-5-9-18(21)14-25-13-17-11-19(23)22(20(24)12-17)27-15-16-7-3-2-4-8-16;/h2-12,25H,13-15H2,1H3;1H.
What are the key properties of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride?
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 438.78 g/mol, XLogP of 6.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 17208311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).