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

C18H22ClNO3 — CID 7311622

IUPAC(1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
SMILESCCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OC
InChIInChI=1S/C18H22ClNO3/c1-3-23-17-10-13(9-15(19)18(17)22-2)11-20-12-16(21)14-7-5-4-6-8-14/h4-10,16,20-21H,3,11-12H2,1-2H3/t16-/m0/s1
InChIKeySWZPWNPQKJYDCW-INIZCTEOSA-N
MW335.83 g/mol
LogP3.57
Rot. Bonds8

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

(1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol (PubChem CID 7311622) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is (1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
PubChem CID7311622
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name(1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
SMILESCCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OC
InChIInChI=1S/C18H22ClNO3/c1-3-23-17-10-13(9-15(19)18(17)22-2)11-20-12-16(21)14-7-5-4-6-8-14/h4-10,16,20-21H,3,11-12H2,1-2H3/t16-/m0/s1
InChIKeySWZPWNPQKJYDCW-INIZCTEOSA-N
XLogP3.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-[(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]-1-phenylethanol
CID 51987234
2-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721232
(1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51994921
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17295818
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720604
2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride
CID 21233351
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
(1S)-2-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1-phenylethanol
CID 8637889
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
[2-[[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 110906112

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol (CID 7311622) is (1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol is CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OC.
What is the InChIKey of (1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol?
The InChIKey is SWZPWNPQKJYDCW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-3-23-17-10-13(9-15(19)18(17)22-2)11-20-12-16(21)14-7-5-4-6-8-14/h4-10,16,20-21H,3,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of (1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol?
(1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol has a molecular weight of 335.83 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 7311622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).