(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol

C18H21ClFNO3 — CID 51435290

IUPAC(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
SMILESCOc1cc(CNC[C@@H](C)O)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C18H21ClFNO3/c1-12(22)9-21-10-13-3-6-17(18(7-13)23-2)24-11-14-4-5-15(20)8-16(14)19/h3-8,12,21-22H,9-11H2,1-2H3/t12-/m1/s1
InChIKeyVCYPPKGRVIXHRV-GFCCVEGCSA-N
MW353.82 g/mol
LogP3.54
Rot. Bonds8

About (2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol

(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol (PubChem CID 51435290) has the molecular formula C18H21ClFNO3 and a molecular weight of 353.82 g/mol. Its IUPAC name is (2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
PubChem CID51435290
Molecular FormulaC18H21ClFNO3
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC Name(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
SMILESCOc1cc(CNC[C@@H](C)O)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C18H21ClFNO3/c1-12(22)9-21-10-13-3-6-17(18(7-13)23-2)24-11-14-4-5-15(20)8-16(14)19/h3-8,12,21-22H,9-11H2,1-2H3/t12-/m1/s1
InChIKeyVCYPPKGRVIXHRV-GFCCVEGCSA-N
XLogP3.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.82
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 51996982
2-[2-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294318
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996850
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 4719391
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17294024
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 4719461
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-1-amine;hydrochloride
CID 17293721
(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996946
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 4719716
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]hexan-1-amine
CID 4719476
(2R)-1-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51432621
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211311

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol (CID 51435290) is (2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol is COc1cc(CNC[C@@H](C)O)ccc1OCc1ccc(F)cc1Cl.
What is the InChIKey of (2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol?
The InChIKey is VCYPPKGRVIXHRV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21ClFNO3/c1-12(22)9-21-10-13-3-6-17(18(7-13)23-2)24-11-14-4-5-15(20)8-16(14)19/h3-8,12,21-22H,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol?
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol has a molecular weight of 353.82 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol is sourced from PubChem (CID 51435290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).