N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine

C14H19NO — CID 15577290

IUPACN-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine
SMILESCCC(=C=N[C@@H](C)COC)c1ccccc1
InChIInChI=1S/C14H19NO/c1-4-13(10-15-12(2)11-16-3)14-8-6-5-7-9-14/h5-9,12H,4,11H2,1-3H3/t12-/m0/s1
InChIKeyGULAHTYVCDSRGI-LBPRGKRZSA-N
MW217.31 g/mol
LogP3.18
Rot. Bonds5

About N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine

N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine (PubChem CID 15577290) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine
PubChem CID15577290
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine
SMILESCCC(=C=N[C@@H](C)COC)c1ccccc1
InChIInChI=1S/C14H19NO/c1-4-13(10-15-12(2)11-16-3)14-8-6-5-7-9-14/h5-9,12H,4,11H2,1-3H3/t12-/m0/s1
InChIKeyGULAHTYVCDSRGI-LBPRGKRZSA-N
XLogP3.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.18
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

AG-H-02521
CID 5325154
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N,N-dimethyl-2-[(2-phenylvinyl)oxy]ethanamine
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2-Ethoxy-N-(2-methyl-1-phenylpropylidene)ethanamine
CID 14402796
2-Prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene
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(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 12025113
(S)-4-Isopropyl-2-phenethyl-4,5-dihydrooxazole
CID 13435839
2-phenyl-N-propan-2-ylethenimine
CID 10749479
N-(2-Phenylethenylidene)-2-butanamine
CID 10855975
(4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 11063472
(E)-N-[2-(Ethenyloxy)ethyl]-1-phenylmethanimine
CID 12409743

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine (CID 15577290) is N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine is CCC(=C=N[C@@H](C)COC)c1ccccc1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine?
The InChIKey is GULAHTYVCDSRGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-13(10-15-12(2)11-16-3)14-8-6-5-7-9-14/h5-9,12H,4,11H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine?
N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine has a molecular weight of 217.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2-phenylbut-1-en-1-imine is sourced from PubChem (CID 15577290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).