(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol

C24H26ClNO3 — CID 51992940

IUPAC(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
SMILESCCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C24H26ClNO3/c1-2-28-24-14-18(15-26-16-22(27)20-8-4-3-5-9-20)11-12-23(24)29-17-19-7-6-10-21(25)13-19/h3-14,22,26-27H,2,15-17H2,1H3/t22-/m0/s1
InChIKeyANMAPMUAEHXTLS-QFIPXVFZSA-N
MW411.93 g/mol
LogP5.14
Rot. Bonds10

About (1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol

(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol (PubChem CID 51992940) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is (1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
PubChem CID51992940
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Name(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
SMILESCCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C24H26ClNO3/c1-2-28-24-14-18(15-26-16-22(27)20-8-4-3-5-9-20)11-12-23(24)29-17-19-7-6-10-21(25)13-19/h3-14,22,26-27H,2,15-17H2,1H3/t22-/m0/s1
InChIKeyANMAPMUAEHXTLS-QFIPXVFZSA-N
XLogP5.14
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720430
2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66531949
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51997058
2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17294955
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 27004665
2-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66530738
1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol
CID 110885649
1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol
CID 119128834
(1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51994921

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol (CID 51992940) is (1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol is CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of (1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol?
The InChIKey is ANMAPMUAEHXTLS-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26ClNO3/c1-2-28-24-14-18(15-26-16-22(27)20-8-4-3-5-9-20)11-12-23(24)29-17-19-7-6-10-21(25)13-19/h3-14,22,26-27H,2,15-17H2,1H3/t22-/m0/s1.
What are the key properties of (1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol?
(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol has a molecular weight of 411.93 g/mol, XLogP of 5.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol is sourced from PubChem (CID 51992940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).