(2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol

C20H24ClNO2 — CID 70889092

IUPAC(2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol
SMILESC[C@@H]1OCC[C@](C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)[C@H]1O
InChIInChI=1S/C20H24ClNO2/c1-14-19(23)20(2,11-12-24-14)22-13-15-3-5-16(6-4-15)17-7-9-18(21)10-8-17/h3-10,14,19,22-23H,11-13H2,1-2H3/t14-,19-,20-/m0/s1
InChIKeyIMQBXZSCNIQHTF-GKCIPKSASA-N
MW345.87 g/mol
LogP4.03
Rot. Bonds4

About (2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol

(2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol (PubChem CID 70889092) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is (2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol
PubChem CID70889092
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name(2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol
SMILESC[C@@H]1OCC[C@](C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)[C@H]1O
InChIInChI=1S/C20H24ClNO2/c1-14-19(23)20(2,11-12-24-14)22-13-15-3-5-16(6-4-15)17-7-9-18(21)10-8-17/h3-10,14,19,22-23H,11-13H2,1-2H3/t14-,19-,20-/m0/s1
InChIKeyIMQBXZSCNIQHTF-GKCIPKSASA-N
XLogP4.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol
CID 153338566
4-(4-chlorophenyl)-N-(2-methoxyethyl)oxan-4-amine
CID 53593528
4-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)oxan-4-amine
CID 72020766
4-(4-chlorophenyl)-N-(2-ethoxyethyl)oxan-4-amine
CID 72127516
2,6-Bis(4-chlorophenyl)-3-methyl-4-piperidinol
CID 4518766
1-[(4-Chlorophenyl)methoxy]-3-(1-phenylethylamino)propan-2-ol
CID 2882810
2,6-Bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol
CID 2879590
1-[[(4-Chlorophenyl)-(4-fluorophenyl)methyl]amino]-3-methoxypropan-2-ol
CID 110010662
2-[[4-(4-Chlorophenyl)oxan-4-yl]amino]-1-(4-fluorophenyl)ethanol
CID 111109045
2-[[4-(4-Chlorophenyl)oxan-4-yl]amino]-1-(2-fluorophenyl)ethanol
CID 111109046
1-(4-Chlorophenyl)-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]ethanol
CID 111109049
1-[2-(2-Chloro-4-fluorophenyl)propan-2-ylamino]-3-(oxan-4-yloxy)propan-2-ol
CID 112134820

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol?
The IUPAC name of (2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol (CID 70889092) is (2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol.
What is the SMILES notation for (2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol?
The canonical SMILES for (2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol is C[C@@H]1OCC[C@](C)(NCc2ccc(-c3ccc(Cl)cc3)cc2)[C@H]1O.
What is the InChIKey of (2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol?
The InChIKey is IMQBXZSCNIQHTF-GKCIPKSASA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-14-19(23)20(2,11-12-24-14)22-13-15-3-5-16(6-4-15)17-7-9-18(21)10-8-17/h3-10,14,19,22-23H,11-13H2,1-2H3/t14-,19-,20-/m0/s1.
What are the key properties of (2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol?
(2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol has a molecular weight of 345.87 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-2,4-dimethyloxan-3-ol is sourced from PubChem (CID 70889092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).