N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine

C16H23NO — CID 11172627

IUPACN-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine
SMILESCOC[C@H](Cc1ccccc1)N=C1CCCCC1
InChIInChI=1S/C16H23NO/c1-18-13-16(12-14-8-4-2-5-9-14)17-15-10-6-3-7-11-15/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3/t16-/m0/s1
InChIKeyFCVNMZWBXQFBHV-INIZCTEOSA-N
MW245.37 g/mol
LogP3.65
Rot. Bonds5

About N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine

N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine (PubChem CID 11172627) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine
PubChem CID11172627
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine
SMILESCOC[C@H](Cc1ccccc1)N=C1CCCCC1
InChIInChI=1S/C16H23NO/c1-18-13-16(12-14-8-4-2-5-9-14)17-15-10-6-3-7-11-15/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3/t16-/m0/s1
InChIKeyFCVNMZWBXQFBHV-INIZCTEOSA-N
XLogP3.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
(S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
CID 697622
AG-H-02521
CID 5325154
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
(4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
CID 72942282
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
(4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
CID 102142826
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832
Pyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-5-[(2,4,5-trifluorophenyl)methyl]-, (2S,5R)-
CID 11290377

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine?
The IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine (CID 11172627) is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine.
What is the SMILES notation for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine?
The canonical SMILES for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine is COC[C@H](Cc1ccccc1)N=C1CCCCC1.
What is the InChIKey of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine?
The InChIKey is FCVNMZWBXQFBHV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23NO/c1-18-13-16(12-14-8-4-2-5-9-14)17-15-10-6-3-7-11-15/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3/t16-/m0/s1.
What are the key properties of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine?
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine has a molecular weight of 245.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]cyclohexanimine is sourced from PubChem (CID 11172627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).