2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride

C18H23Cl2NO3 — CID 2996937

IUPAC2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCCOc1c(Cl)cc(CNCC(O)c2ccccc2)cc1OC.Cl
InChIInChI=1S/C18H22ClNO3.ClH/c1-3-23-18-15(19)9-13(10-17(18)22-2)11-20-12-16(21)14-7-5-4-6-8-14;/h4-10,16,20-21H,3,11-12H2,1-2H3;1H
InChIKeyNWWXRHSCXRMKBH-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.99
Rot. Bonds8

About 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride

2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride (PubChem CID 2996937) has the molecular formula C18H23Cl2NO3 and a molecular weight of 372.29 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
PubChem CID2996937
Molecular FormulaC18H23Cl2NO3
Molecular Weight372.29 g/mol
Exact Mass371.11
IUPAC Name2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCCOc1c(Cl)cc(CNCC(O)c2ccccc2)cc1OC.Cl
InChIInChI=1S/C18H22ClNO3.ClH/c1-3-23-18-15(19)9-13(10-17(18)22-2)11-20-12-16(21)14-7-5-4-6-8-14;/h4-10,16,20-21H,3,11-12H2,1-2H3;1H
InChIKeyNWWXRHSCXRMKBH-UHFFFAOYSA-N
XLogP3.99
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride (CID 2996937) is 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride is CCOc1c(Cl)cc(CNCC(O)c2ccccc2)cc1OC.Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is NWWXRHSCXRMKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3.ClH/c1-3-23-18-15(19)9-13(10-17(18)22-2)11-20-12-16(21)14-7-5-4-6-8-14;/h4-10,16,20-21H,3,11-12H2,1-2H3;1H.
What are the key properties of 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride?
2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 372.29 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 2996937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).