1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride

C22H22Cl3NO2 — CID 17293750

IUPAC1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccccc2Cl)ccc1OCc1cccc(Cl)c1.Cl
InChIInChI=1S/C22H21Cl2NO2.ClH/c1-26-22-12-16(13-25-14-18-6-2-3-8-20(18)24)9-10-21(22)27-15-17-5-4-7-19(23)11-17;/h2-12,25H,13-15H2,1H3;1H
InChIKeyBFSMXUUQCWHMMD-UHFFFAOYSA-N
MW438.78 g/mol
LogP6.29
Rot. Bonds8

About 1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride

1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride (PubChem CID 17293750) has the molecular formula C22H22Cl3NO2 and a molecular weight of 438.78 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
PubChem CID17293750
Molecular FormulaC22H22Cl3NO2
Molecular Weight438.78 g/mol
Exact Mass437.07
IUPAC Name1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
SMILESCOc1cc(CNCc2ccccc2Cl)ccc1OCc1cccc(Cl)c1.Cl
InChIInChI=1S/C22H21Cl2NO2.ClH/c1-26-22-12-16(13-25-14-18-6-2-3-8-20(18)24)9-10-21(22)27-15-17-5-4-7-19(23)11-17;/h2-12,25H,13-15H2,1H3;1H
InChIKeyBFSMXUUQCWHMMD-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-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17294158
N-[(2-chlorophenyl)methyl]-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine;hydrochloride
CID 17289780
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4722411
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 54855533
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17292583
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 4716490
2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid
CID 66527554
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209578
1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 17289276
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
N',N'-dibutyl-N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214711
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210404

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride (CID 17293750) is 1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride is COc1cc(CNCc2ccccc2Cl)ccc1OCc1cccc(Cl)c1.Cl.
What is the InChIKey of 1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride?
The InChIKey is BFSMXUUQCWHMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO2.ClH/c1-26-22-12-16(13-25-14-18-6-2-3-8-20(18)24)9-10-21(22)27-15-17-5-4-7-19(23)11-17;/h2-12,25H,13-15H2,1H3;1H.
What are the key properties of 1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride?
1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]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 1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 17293750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).