(1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol

C17H20N2O — CID 12776695

IUPAC(1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1)N(C)/N=C/c1ccccc1
InChIInChI=1S/C17H20N2O/c1-14(17(20)16-11-7-4-8-12-16)19(2)18-13-15-9-5-3-6-10-15/h3-14,17,20H,1-2H3/b18-13+/t14-,17-/m0/s1
InChIKeyGUOLECJKXFIGNE-WVISYZLISA-N
MW268.36 g/mol
LogP3.07
Rot. Bonds5

About (1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol

(1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol (PubChem CID 12776695) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol
PubChem CID12776695
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1)N(C)/N=C/c1ccccc1
InChIInChI=1S/C17H20N2O/c1-14(17(20)16-11-7-4-8-12-16)19(2)18-13-15-9-5-3-6-10-15/h3-14,17,20H,1-2H3/b18-13+/t14-,17-/m0/s1
InChIKeyGUOLECJKXFIGNE-WVISYZLISA-N
XLogP3.07
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Cinnamedrine
CID 5370611
n-Amino-l-ephedrine
CID 12776702
(1R,2S)-2-[amino(methyl)amino]-1-phenylbutan-1-ol
CID 46929733
(E)-2-(Benzylideneamino)-1-phenylethanol
CID 2841414
Cinnamedrine Hydrochloride
CID 6441459
2-(Benzylideneamino)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 134884033
2-(Benzylideneamino)-1-phenyl-1-propanol
CID 3342267
trans-(1R,2R)-2-[[(E)-(4-fluorophenyl)methylideneamino]-methylamino]cyclohexan-1-ol
CID 10422222
2-[Amino(methyl)amino]-1-phenylpropan-1-ol
CID 15812
2-[Methyl(3-phenylprop-2-en-1-yl)amino]-1-phenylpropan-1-ol
CID 46554
(1R,2R)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol
CID 6510523
(E)-2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-4-phenylbut-3-enenitrile
CID 11044987

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol (CID 12776695) is (1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol is C[C@@H]([C@H](O)c1ccccc1)N(C)/N=C/c1ccccc1.
What is the InChIKey of (1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol?
The InChIKey is GUOLECJKXFIGNE-WVISYZLISA-N. The full InChI is InChI=1S/C17H20N2O/c1-14(17(20)16-11-7-4-8-12-16)19(2)18-13-15-9-5-3-6-10-15/h3-14,17,20H,1-2H3/b18-13+/t14-,17-/m0/s1.
What are the key properties of (1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol?
(1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[[(E)-benzylideneamino]-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 12776695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).