(E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol

C26H30N2O — CID 135050232

IUPAC(E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol
SMILESCN(C)[C@@H](c1ccccc1)[C@H](c1ccccc1)N(C)C(O)/C=C/c1ccccc1
InChIInChI=1S/C26H30N2O/c1-27(2)25(22-15-9-5-10-16-22)26(23-17-11-6-12-18-23)28(3)24(29)20-19-21-13-7-4-8-14-21/h4-20,24-26,29H,1-3H3/b20-19+/t24?,25-,26-/m0/s1
InChIKeyGRPZYGQREWZVFH-ZDJMANKXSA-N
MW386.54 g/mol
LogP4.99
Rot. Bonds8

About (E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol

(E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol (PubChem CID 135050232) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is (E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol
PubChem CID135050232
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name(E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol
SMILESCN(C)[C@@H](c1ccccc1)[C@H](c1ccccc1)N(C)C(O)/C=C/c1ccccc1
InChIInChI=1S/C26H30N2O/c1-27(2)25(22-15-9-5-10-16-22)26(23-17-11-6-12-18-23)28(3)24(29)20-19-21-13-7-4-8-14-21/h4-20,24-26,29H,1-3H3/b20-19+/t24?,25-,26-/m0/s1
InChIKeyGRPZYGQREWZVFH-ZDJMANKXSA-N
XLogP4.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
CID 67414377
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
3-phenylprop-2-ene-1,1-diol
CID 54432533
(1E,6E)-4-(difluoromethylidene)-3-N,3-N,5-N,5-N-tetramethyl-1,7-diphenylhepta-1,6-diene-3,5-diamine
CID 101034524
N,N-dimethylmethanamine;stilbene
CID 174368184
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
2-(dimethylamino)-4-phenylbut-3-enenitrile
CID 73110319
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
[(E)-4,4-difluoro-3-methylbut-1-enyl]benzene
CID 132509961
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496

Frequently Asked Questions

What is the IUPAC name of (E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol?
The IUPAC name of (E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol (CID 135050232) is (E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol is CN(C)[C@@H](c1ccccc1)[C@H](c1ccccc1)N(C)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol?
The InChIKey is GRPZYGQREWZVFH-ZDJMANKXSA-N. The full InChI is InChI=1S/C26H30N2O/c1-27(2)25(22-15-9-5-10-16-22)26(23-17-11-6-12-18-23)28(3)24(29)20-19-21-13-7-4-8-14-21/h4-20,24-26,29H,1-3H3/b20-19+/t24?,25-,26-/m0/s1.
What are the key properties of (E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol?
(E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol has a molecular weight of 386.54 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]-methylamino]-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 135050232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).