N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride

C23H25Cl2NO2 — CID 17271171

IUPACN-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
SMILESCCOc1cc(CNCc2ccccc2)ccc1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C23H24ClNO2.ClH/c1-2-26-23-14-20(16-25-15-18-6-4-3-5-7-18)10-13-22(23)27-17-19-8-11-21(24)12-9-19;/h3-14,25H,2,15-17H2,1H3;1H
InChIKeyJXFMEAXHLQPLIR-UHFFFAOYSA-N
MW418.36 g/mol
LogP6.03
Rot. Bonds9

About N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride

N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride (PubChem CID 17271171) has the molecular formula C23H25Cl2NO2 and a molecular weight of 418.36 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
PubChem CID17271171
Molecular FormulaC23H25Cl2NO2
Molecular Weight418.36 g/mol
Exact Mass417.13
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
SMILESCCOc1cc(CNCc2ccccc2)ccc1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C23H24ClNO2.ClH/c1-2-26-23-14-20(16-25-15-18-6-4-3-5-7-18)10-13-22(23)27-17-19-8-11-21(24)12-9-19;/h3-14,25H,2,15-17H2,1H3;1H
InChIKeyJXFMEAXHLQPLIR-UHFFFAOYSA-N
XLogP6.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.36
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride (CID 17271171) is N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride is CCOc1cc(CNCc2ccccc2)ccc1OCc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride?
The InChIKey is JXFMEAXHLQPLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2.ClH/c1-2-26-23-14-20(16-25-15-18-6-4-3-5-7-18)10-13-22(23)27-17-19-8-11-21(24)12-9-19;/h3-14,25H,2,15-17H2,1H3;1H.
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride?
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride has a molecular weight of 418.36 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 17271171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).