(6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol

C19H27NO3 — CID 67933184

IUPAC(6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol
SMILESCC[C@@H]1C=CC=CC1(O)N[C@H](C)Cc1ccc(OC(C)O)cc1
InChIInChI=1S/C19H27NO3/c1-4-17-7-5-6-12-19(17,22)20-14(2)13-16-8-10-18(11-9-16)23-15(3)21/h5-12,14-15,17,20-22H,4,13H2,1-3H3/t14-,15?,17-,19?/m1/s1
InChIKeyLVWREFSWLQOYOY-PSPFXIJKSA-N
MW317.43 g/mol
LogP2.77
Rot. Bonds7

About (6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol

(6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol (PubChem CID 67933184) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol
PubChem CID67933184
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol
SMILESCC[C@@H]1C=CC=CC1(O)N[C@H](C)Cc1ccc(OC(C)O)cc1
InChIInChI=1S/C19H27NO3/c1-4-17-7-5-6-12-19(17,22)20-14(2)13-16-8-10-18(11-9-16)23-15(3)21/h5-12,14-15,17,20-22H,4,13H2,1-3H3/t14-,15?,17-,19?/m1/s1
InChIKeyLVWREFSWLQOYOY-PSPFXIJKSA-N
XLogP2.77
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol with MolForge

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Related Compounds

ethyl 2-[4-[(2R)-2-[[(6R)-6-ethyl-1-hydroxycyclohexa-2,4-dien-1-yl]amino]propyl]phenoxy]acetate
CID 67933158
(6R)-6-ethyl-1-[2-(4-pyrrolidin-1-ylphenyl)ethylamino]cyclohexa-2,4-dien-1-ol
CID 175609495
(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol
CID 154335865
1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol
CID 18791858
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
CID 82262595
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate
CID 83035105
1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol
CID 115494643
1-[4-[(4-aminoanilino)methyl]phenoxy]ethanol
CID 23437244
4-[2-[(1-propylcyclopropyl)methylamino]propyl]phenol
CID 114099628
1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
CID 161419834
1-phenoxyethanol
CID 66611531
N-methyl-1-[4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 115494827

Frequently Asked Questions

What is the IUPAC name of (6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol?
The IUPAC name of (6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol (CID 67933184) is (6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for (6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol is CC[C@@H]1C=CC=CC1(O)N[C@H](C)Cc1ccc(OC(C)O)cc1.
What is the InChIKey of (6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol?
The InChIKey is LVWREFSWLQOYOY-PSPFXIJKSA-N. The full InChI is InChI=1S/C19H27NO3/c1-4-17-7-5-6-12-19(17,22)20-14(2)13-16-8-10-18(11-9-16)23-15(3)21/h5-12,14-15,17,20-22H,4,13H2,1-3H3/t14-,15?,17-,19?/m1/s1.
What are the key properties of (6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol?
(6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol has a molecular weight of 317.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-ethyl-1-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67933184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).