1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine

C17H19N — CID 101228491

IUPAC1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine
SMILESCC[C@H](Cc1ccccc1)/N=C/c1ccccc1
InChIInChI=1S/C17H19N/c1-2-17(13-15-9-5-3-6-10-15)18-14-16-11-7-4-8-12-16/h3-12,14,17H,2,13H2,1H3/b18-14+/t17-/m1/s1
InChIKeyAXGLCIYIBPGDLQ-SOGDLCAJSA-N
MW237.35 g/mol
LogP4.13
Rot. Bonds5

About 1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine

1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine (PubChem CID 101228491) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine.

Molecular Properties

Compound Name1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine
PubChem CID101228491
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine
SMILESCC[C@H](Cc1ccccc1)/N=C/c1ccccc1
InChIInChI=1S/C17H19N/c1-2-17(13-15-9-5-3-6-10-15)18-14-16-11-7-4-8-12-16/h3-12,14,17H,2,13H2,1H3/b18-14+/t17-/m1/s1
InChIKeyAXGLCIYIBPGDLQ-SOGDLCAJSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine
CID 14908454
2-(benzylideneamino)-3-phenylpropanoic acid
CID 12560761
ethyl (2S)-2-[[4-[[(2S)-1-ethylperoxy-3-phenylpropan-2-yl]iminomethyl]phenyl]methylideneamino]-3-phenylpropanoate
CID 89206052
tert-butyl(1-phenylbutan-2-yl)diazene
CID 54519373
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
(2S)-2-[[4-[[(1S)-1-carboxy-2-phenylethyl]iminomethyl]phenyl]methylideneamino]-3-phenylpropanoic acid
CID 102584454
1-(diaminomethylidene)-2-(1-phenylbutan-2-yl)guanidine
CID 24835754
1-(benzylideneamino)ethanol
CID 66697160
2-ethylbutylbenzene;methane
CID 158777195
N-[bis(trimethylsilyl)methyl]-1-phenylmethanimine
CID 71344888
2-benzyl-N-methylbutan-1-imine
CID 86171705
N-[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1-phenylmethanimine
CID 15397255

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine?
The IUPAC name of 1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine (CID 101228491) is 1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine.
What is the SMILES notation for 1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine?
The canonical SMILES for 1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine is CC[C@H](Cc1ccccc1)/N=C/c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine?
The InChIKey is AXGLCIYIBPGDLQ-SOGDLCAJSA-N. The full InChI is InChI=1S/C17H19N/c1-2-17(13-15-9-5-3-6-10-15)18-14-16-11-7-4-8-12-16/h3-12,14,17H,2,13H2,1H3/b18-14+/t17-/m1/s1.
What are the key properties of 1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine?
1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine has a molecular weight of 237.35 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine is sourced from PubChem (CID 101228491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).