(2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol

C18H26N2O — CID 16743539

IUPAC(2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol
SMILESCCN(/C=C/C=C(C)/C=N/[C@@H](CO)c1ccccc1)CC
InChIInChI=1S/C18H26N2O/c1-4-20(5-2)13-9-10-16(3)14-19-18(15-21)17-11-7-6-8-12-17/h6-14,18,21H,4-5,15H2,1-3H3/b13-9+,16-10+,19-14+/t18-/m0/s1
InChIKeyLZJLGPJDRYJVHQ-RRPYYXDUSA-N
MW286.42 g/mol
LogP3.59
Rot. Bonds8

About (2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol

(2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol (PubChem CID 16743539) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol
PubChem CID16743539
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol
SMILESCCN(/C=C/C=C(C)/C=N/[C@@H](CO)c1ccccc1)CC
InChIInChI=1S/C18H26N2O/c1-4-20(5-2)13-9-10-16(3)14-19-18(15-21)17-11-7-6-8-12-17/h6-14,18,21H,4-5,15H2,1-3H3/b13-9+,16-10+,19-14+/t18-/m0/s1
InChIKeyLZJLGPJDRYJVHQ-RRPYYXDUSA-N
XLogP3.59
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol with MolForge

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Related Compounds

(betaR)-beta-[(Phenylmethylene)amino]benzeneethanol
CID 10911227
2-Diethylamino-2-phenylethanol
CID 13119689
3-[4-[1-[[(Z)-2-ethylbut-2-enylidene]amino]ethenyl]-3-fluorophenyl]propan-1-ol
CID 143733259
(2R)-2-(butylideneamino)-2-phenylethanol
CID 12170642
(2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol
CID 11310255
(2S)-2-(3-methylbutylideneamino)-2-phenylethanol
CID 11481144
(2S)-2-(benzylideneamino)-2-phenylethanol
CID 11957857
(2S)-2-(diethylamino)-2-phenylethanol
CID 13119691
(2r)-2-Diethylamino-2-phenyl-ethanol
CID 13119692
2-(Benzylideneamino)-2-phenylethanol
CID 14738818
Triethyl-(2-hydroxy-1-phenylethyl)azanium
CID 19964078
Tributyl-(2-hydroxy-1-phenylethyl)azanium
CID 19964081

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol (CID 16743539) is (2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol is CCN(/C=C/C=C(C)/C=N/[C@@H](CO)c1ccccc1)CC.
What is the InChIKey of (2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol?
The InChIKey is LZJLGPJDRYJVHQ-RRPYYXDUSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-20(5-2)13-9-10-16(3)14-19-18(15-21)17-11-7-6-8-12-17/h6-14,18,21H,4-5,15H2,1-3H3/b13-9+,16-10+,19-14+/t18-/m0/s1.
What are the key properties of (2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol?
(2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol has a molecular weight of 286.42 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2E,4E)-5-(diethylamino)-2-methylpenta-2,4-dienylidene]amino]-2-phenylethanol is sourced from PubChem (CID 16743539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).