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

C24H26ClNO3 — CID 4720430

IUPAC2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
SMILESCCOc1cc(CNCC(O)c2ccccc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H26ClNO3/c1-2-28-24-14-19(15-26-16-22(27)20-6-4-3-5-7-20)10-13-23(24)29-17-18-8-11-21(25)12-9-18/h3-14,22,26-27H,2,15-17H2,1H3
InChIKeyHCJUOPUMPOIYRZ-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.14
Rot. Bonds10

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

2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol (PubChem CID 4720430) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
PubChem CID4720430
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Name2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
SMILESCCOc1cc(CNCC(O)c2ccccc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H26ClNO3/c1-2-28-24-14-19(15-26-16-22(27)20-6-4-3-5-7-20)10-13-23(24)29-17-18-8-11-21(25)12-9-18/h3-14,22,26-27H,2,15-17H2,1H3
InChIKeyHCJUOPUMPOIYRZ-UHFFFAOYSA-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

(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51992940
2-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66530738
2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17294955
1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol
CID 110885649
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-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66531949
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51997058
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718394
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-1-amine
CID 4722560

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol?
The IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol (CID 4720430) is 2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol is CCOc1cc(CNCC(O)c2ccccc2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol?
The InChIKey is HCJUOPUMPOIYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3/c1-2-28-24-14-19(15-26-16-22(27)20-6-4-3-5-7-20)10-13-23(24)29-17-18-8-11-21(25)12-9-18/h3-14,22,26-27H,2,15-17H2,1H3.
What are the key properties of 2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol?
2-[[4-[(4-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 2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol is sourced from PubChem (CID 4720430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).