(1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol

C19H22ClFN2O2 — CID 110155472

IUPAC(1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol
SMILESCN(Cc1ccc(Cl)cc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)C[C@H]1N
InChIInChI=1S/C19H22ClFN2O2/c1-23(11-12-2-4-13(20)5-3-12)18-16(22)10-17(19(18)24)25-15-8-6-14(21)7-9-15/h2-9,16-19,24H,10-11,22H2,1H3/t16-,17-,18+,19+/m1/s1
InChIKeyKAXLUMYPZWWCHY-YRXWBPOGSA-N
MW364.85 g/mol
LogP2.82
Rot. Bonds5

About (1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol

(1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol (PubChem CID 110155472) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol
PubChem CID110155472
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name(1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol
SMILESCN(Cc1ccc(Cl)cc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)C[C@H]1N
InChIInChI=1S/C19H22ClFN2O2/c1-23(11-12-2-4-13(20)5-3-12)18-16(22)10-17(19(18)24)25-15-8-6-14(21)7-9-15/h2-9,16-19,24H,10-11,22H2,1H3/t16-,17-,18+,19+/m1/s1
InChIKeyKAXLUMYPZWWCHY-YRXWBPOGSA-N
XLogP2.82
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol?
The IUPAC name of (1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol (CID 110155472) is (1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol is CN(Cc1ccc(Cl)cc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)C[C@H]1N.
What is the InChIKey of (1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol?
The InChIKey is KAXLUMYPZWWCHY-YRXWBPOGSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-23(11-12-2-4-13(20)5-3-12)18-16(22)10-17(19(18)24)25-15-8-6-14(21)7-9-15/h2-9,16-19,24H,10-11,22H2,1H3/t16-,17-,18+,19+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol?
(1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol has a molecular weight of 364.85 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-amino-2-[(4-chlorophenyl)methyl-methylamino]-5-(4-fluorophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 110155472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).