N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride

C18H23Cl2NO2 — CID 2959070

IUPACN-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1.Cl
InChIInChI=1S/C18H22ClNO2.ClH/c1-3-20-12-15-10-16(19)18(17(11-15)21-4-2)22-13-14-8-6-5-7-9-14;/h5-11,20H,3-4,12-13H2,1-2H3;1H
InChIKeyIDCDOFYWAVUYJB-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.85
Rot. Bonds8

About N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride

N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 2959070) has the molecular formula C18H23Cl2NO2 and a molecular weight of 356.29 g/mol. Its IUPAC name is N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID2959070
Molecular FormulaC18H23Cl2NO2
Molecular Weight356.29 g/mol
Exact Mass355.11
IUPAC NameN-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1.Cl
InChIInChI=1S/C18H22ClNO2.ClH/c1-3-20-12-15-10-16(19)18(17(11-15)21-4-2)22-13-14-8-6-5-7-9-14;/h5-11,20H,3-4,12-13H2,1-2H3;1H
InChIKeyIDCDOFYWAVUYJB-UHFFFAOYSA-N
XLogP4.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride (CID 2959070) is N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride is CCNCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1.Cl.
What is the InChIKey of N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is IDCDOFYWAVUYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2.ClH/c1-3-20-12-15-10-16(19)18(17(11-15)21-4-2)22-13-14-8-6-5-7-9-14;/h5-11,20H,3-4,12-13H2,1-2H3;1H.
What are the key properties of N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride?
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 356.29 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 2959070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).