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

C23H24Cl3NO2 — CID 17206090

IUPAC1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
SMILESCCOc1cccc(CNCc2ccccc2Cl)c1OCc1ccccc1Cl.Cl
InChIInChI=1S/C23H23Cl2NO2.ClH/c1-2-27-22-13-7-10-18(15-26-14-17-8-3-5-11-20(17)24)23(22)28-16-19-9-4-6-12-21(19)25;/h3-13,26H,2,14-16H2,1H3;1H
InChIKeyXPVNWTJZJQBQDG-UHFFFAOYSA-N
MW452.81 g/mol
LogP6.68
Rot. Bonds9

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

1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride (PubChem CID 17206090) has the molecular formula C23H24Cl3NO2 and a molecular weight of 452.81 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
PubChem CID17206090
Molecular FormulaC23H24Cl3NO2
Molecular Weight452.81 g/mol
Exact Mass451.09
IUPAC Name1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
SMILESCCOc1cccc(CNCc2ccccc2Cl)c1OCc1ccccc1Cl.Cl
InChIInChI=1S/C23H23Cl2NO2.ClH/c1-2-27-22-13-7-10-18(15-26-14-17-8-3-5-11-20(17)24)23(22)28-16-19-9-4-6-12-21(19)25;/h3-13,26H,2,14-16H2,1H3;1H
InChIKeyXPVNWTJZJQBQDG-UHFFFAOYSA-N
XLogP6.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propan-1-amine;hydrochloride
CID 17206157
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propan-1-amine
CID 17206158
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17216179
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17206139
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 17216180
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208009
1-(1,3-benzodioxol-5-yl)-N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]methanamine;hydrochloride
CID 17212477
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 124869858
[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 4736676
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212650
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689
N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride (CID 17206090) is 1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride is CCOc1cccc(CNCc2ccccc2Cl)c1OCc1ccccc1Cl.Cl.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride?
The InChIKey is XPVNWTJZJQBQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2NO2.ClH/c1-2-27-22-13-7-10-18(15-26-14-17-8-3-5-11-20(17)24)23(22)28-16-19-9-4-6-12-21(19)25;/h3-13,26H,2,14-16H2,1H3;1H.
What are the key properties of 1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride?
1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride has a molecular weight of 452.81 g/mol, XLogP of 6.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 17206090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).