(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol

C22H32N2O2 — CID 102595877

IUPAC(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
SMILESCC([C@@H](O)c1ccccc1)N(C)CCN(C)C(C)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H32N2O2/c1-17(21(25)19-11-7-5-8-12-19)23(3)15-16-24(4)18(2)22(26)20-13-9-6-10-14-20/h5-14,17-18,21-22,25-26H,15-16H2,1-4H3/t17?,18?,21-,22-/m1/s1
InChIKeySIFOFEPZNMZLMQ-ODMAOCJESA-N
MW356.51 g/mol
LogP3.09
Rot. Bonds9

About (1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol

(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol (PubChem CID 102595877) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
PubChem CID102595877
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
SMILESCC([C@@H](O)c1ccccc1)N(C)CCN(C)C(C)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H32N2O2/c1-17(21(25)19-11-7-5-8-12-19)23(3)15-16-24(4)18(2)22(26)20-13-9-6-10-14-20/h5-14,17-18,21-22,25-26H,15-16H2,1-4H3/t17?,18?,21-,22-/m1/s1
InChIKeySIFOFEPZNMZLMQ-ODMAOCJESA-N
XLogP3.09
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol with MolForge

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Related Compounds

2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1R,2S)-2-[2-(benzenesulfonyl)ethyl-methylamino]-1-phenylpropan-1-ol
CID 11256082
1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one
CID 85280198
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1R,2S)-2-[[(2R)-2-amino-3-methylbutyl]-methylamino]-1-phenylpropan-1-ol
CID 86342127
(1R,2S)-2-[2,2-dimethoxyethyl(methyl)amino]-1-phenylpropan-1-ol
CID 102421960
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)propan-1-ol
CID 63701171
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 54856639
3-[2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl]benzoic acid
CID 164666862
2-[2-hydroxyethyl(methyl)amino]-1,2-diphenylethanol
CID 14391199

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol (CID 102595877) is (1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol is CC([C@@H](O)c1ccccc1)N(C)CCN(C)C(C)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol?
The InChIKey is SIFOFEPZNMZLMQ-ODMAOCJESA-N. The full InChI is InChI=1S/C22H32N2O2/c1-17(21(25)19-11-7-5-8-12-19)23(3)15-16-24(4)18(2)22(26)20-13-9-6-10-14-20/h5-14,17-18,21-22,25-26H,15-16H2,1-4H3/t17?,18?,21-,22-/m1/s1.
What are the key properties of (1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol?
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol has a molecular weight of 356.51 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 102595877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).