1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine

C15H17NO — CID 135087120

IUPAC1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine
SMILESCC(C)[C@H](/N=C/c1ccco1)c1ccccc1
InChIInChI=1S/C15H17NO/c1-12(2)15(13-7-4-3-5-8-13)16-11-14-9-6-10-17-14/h3-12,15H,1-2H3/b16-11+/t15-/m0/s1
InChIKeyWAJSPALGGXVCOB-KFXIKWRMSA-N
MW227.31 g/mol
LogP4.10
Rot. Bonds4

About 1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine

1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine (PubChem CID 135087120) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine
PubChem CID135087120
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine
SMILESCC(C)[C@H](/N=C/c1ccco1)c1ccccc1
InChIInChI=1S/C15H17NO/c1-12(2)15(13-7-4-3-5-8-13)16-11-14-9-6-10-17-14/h3-12,15H,1-2H3/b16-11+/t15-/m0/s1
InChIKeyWAJSPALGGXVCOB-KFXIKWRMSA-N
XLogP4.10
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 54.10
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

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CID 5046711
2-{[(Furan-2-ylmethyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione
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1-(2-Furyl)-3,4-dihydroisoquinoline hydrochloride
CID 2870925
N-benzyl-N-[(E)-furan-2-ylmethylideneamino]-1-phenylmethanamine
CID 6869187
1-(Furan-2-yl)-3,4-dihydroisoquinoline
CID 873979
N-furfurylidene-p-toluidine
CID 899953
N-[(E)-2-Furylmethylidene]-2-phenylethanamine
CID 572635
2-Furanpropylamine, N,N-dimethyl-alpha-phenyl-
CID 33041
1,1-Diphenyl-2-methyl-3-(2-furylmethyleneamino)propanol
CID 3060495
N-(2-furylmethylidene)-4-trifluoromethylaniline
CID 2359105
(E,E)-3-(furan-2-yl)-N-methoxy-2-phenylprop-2-en-1-imine
CID 44340739
N-(2-furanylmethylene)-2,6-dimethylbenzenamine
CID 3016834

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine?
The IUPAC name of 1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine (CID 135087120) is 1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine is CC(C)[C@H](/N=C/c1ccco1)c1ccccc1.
What is the InChIKey of 1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine?
The InChIKey is WAJSPALGGXVCOB-KFXIKWRMSA-N. The full InChI is InChI=1S/C15H17NO/c1-12(2)15(13-7-4-3-5-8-13)16-11-14-9-6-10-17-14/h3-12,15H,1-2H3/b16-11+/t15-/m0/s1.
What are the key properties of 1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine?
1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine has a molecular weight of 227.31 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]methanimine is sourced from PubChem (CID 135087120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).