1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol

C19H23ClFNO3 — CID 66531113

IUPAC1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESCCOc1cc(CNCC(C)O)c(Cl)cc1OCc1ccc(F)cc1
InChIInChI=1S/C19H23ClFNO3/c1-3-24-18-8-15(11-22-10-13(2)23)17(20)9-19(18)25-12-14-4-6-16(21)7-5-14/h4-9,13,22-23H,3,10-12H2,1-2H3
InChIKeyDJGTYSYVRMFENZ-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.93
Rot. Bonds9

About 1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol

1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol (PubChem CID 66531113) has the molecular formula C19H23ClFNO3 and a molecular weight of 367.85 g/mol. Its IUPAC name is 1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
PubChem CID66531113
Molecular FormulaC19H23ClFNO3
Molecular Weight367.85 g/mol
Exact Mass367.14
IUPAC Name1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESCCOc1cc(CNCC(C)O)c(Cl)cc1OCc1ccc(F)cc1
InChIInChI=1S/C19H23ClFNO3/c1-3-24-18-8-15(11-22-10-13(2)23)17(20)9-19(18)25-12-14-4-6-16(21)7-5-14/h4-9,13,22-23H,3,10-12H2,1-2H3
InChIKeyDJGTYSYVRMFENZ-UHFFFAOYSA-N
XLogP3.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol
CID 66531708
2-[2-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 66537571
4-[[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid
CID 66531122
1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 66532396
2-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66530738
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
N-[[2-chloro-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 66531573
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-4-fluoroaniline
CID 66542323
N-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 66542257
(2R)-1-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51432621
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-2-amine
CID 66531623
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 66529446

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The IUPAC name of 1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol (CID 66531113) is 1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol is CCOc1cc(CNCC(C)O)c(Cl)cc1OCc1ccc(F)cc1.
What is the InChIKey of 1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The InChIKey is DJGTYSYVRMFENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFNO3/c1-3-24-18-8-15(11-22-10-13(2)23)17(20)9-19(18)25-12-14-4-6-16(21)7-5-14/h4-9,13,22-23H,3,10-12H2,1-2H3.
What are the key properties of 1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol has a molecular weight of 367.85 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 66531113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).