(2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol

C20H26ClNO3 — CID 51997160

IUPAC(2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESCCOc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1cccc(C)c1
InChIInChI=1S/C20H26ClNO3/c1-4-24-19-10-17(12-22-11-15(3)23)9-18(21)20(19)25-13-16-7-5-6-14(2)8-16/h5-10,15,22-23H,4,11-13H2,1-3H3/t15-/m1/s1
InChIKeyRHISKUKDUAZVQW-OAHLLOKOSA-N
MW363.89 g/mol
LogP4.10
Rot. Bonds9

About (2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol

(2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol (PubChem CID 51997160) has the molecular formula C20H26ClNO3 and a molecular weight of 363.89 g/mol. Its IUPAC name is (2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
PubChem CID51997160
Molecular FormulaC20H26ClNO3
Molecular Weight363.89 g/mol
Exact Mass363.16
IUPAC Name(2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESCCOc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1cccc(C)c1
InChIInChI=1S/C20H26ClNO3/c1-4-24-19-10-17(12-22-11-15(3)23)9-18(21)20(19)25-13-16-7-5-6-14(2)8-16/h5-10,15,22-23H,4,11-13H2,1-3H3/t15-/m1/s1
InChIKeyRHISKUKDUAZVQW-OAHLLOKOSA-N
XLogP4.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66528776
1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol
CID 4716264
(2S)-1-[2-[(3-chloro-4,5-diethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 28700914
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol
CID 4717439
(2R)-1-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol
CID 51997136
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51997058
(2S)-1-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51560581
(2R)-N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51995336
(1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51994921
1-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-ol;dihydrochloride
CID 17055939
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210496
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291328

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol (CID 51997160) is (2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol is CCOc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1cccc(C)c1.
What is the InChIKey of (2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol?
The InChIKey is RHISKUKDUAZVQW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26ClNO3/c1-4-24-19-10-17(12-22-11-15(3)23)9-18(21)20(19)25-13-16-7-5-6-14(2)8-16/h5-10,15,22-23H,4,11-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol?
(2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol has a molecular weight of 363.89 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 51997160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).