1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine

C16H23NO — CID 13326158

IUPAC1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine
SMILESCOC[C@H](/N=C/C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H23NO/c1-18-13-16(15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h3,6-7,10-12,14,16H,2,4-5,8-9,13H2,1H3/b17-12+/t16-/m0/s1
InChIKeyUIYYWKUCYFUROX-WLSWZUKCSA-N
MW245.37 g/mol
LogP4.03
Rot. Bonds5

About 1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine

1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine (PubChem CID 13326158) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine
PubChem CID13326158
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine
SMILESCOC[C@H](/N=C/C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H23NO/c1-18-13-16(15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h3,6-7,10-12,14,16H,2,4-5,8-9,13H2,1H3/b17-12+/t16-/m0/s1
InChIKeyUIYYWKUCYFUROX-WLSWZUKCSA-N
XLogP4.03
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 ≤ 54.03
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)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11229989
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
2,2,2-trifluoro-N-[(1S)-2-methoxy-1-phenylethyl]ethanimine oxide
CID 139191316
(4S,4'S)-2,2'-(Cyclopropane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 10496806
(4S,5R)-5-methyl-2-[2-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10546604
(betaR)-beta-[(Phenylmethylene)amino]benzeneethanol
CID 10911227
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
2H-1,4-Oxazin-2-one, 5,6-dihydro-5-phenyl-, (5S)-
CID 10942968

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine?
The IUPAC name of 1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine (CID 13326158) is 1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine.
What is the SMILES notation for 1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine?
The canonical SMILES for 1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine is COC[C@H](/N=C/C1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine?
The InChIKey is UIYYWKUCYFUROX-WLSWZUKCSA-N. The full InChI is InChI=1S/C16H23NO/c1-18-13-16(15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h3,6-7,10-12,14,16H,2,4-5,8-9,13H2,1H3/b17-12+/t16-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine?
1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine has a molecular weight of 245.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine is sourced from PubChem (CID 13326158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).