N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine

C14H15NO — CID 21037717

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine
SMILESCc1ccc(C(C)/N=C/c2ccccc2)o1
InChIInChI=1S/C14H15NO/c1-11-8-9-14(16-11)12(2)15-10-13-6-4-3-5-7-13/h3-10,12H,1-2H3/b15-10+
InChIKeyFLSWJRLJUFZKAM-XNTDXEJSSA-N
MW213.28 g/mol
LogP3.77
Rot. Bonds3

About N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine

N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine (PubChem CID 21037717) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine
PubChem CID21037717
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine
SMILESCc1ccc(C(C)/N=C/c2ccccc2)o1
InChIInChI=1S/C14H15NO/c1-11-8-9-14(16-11)12(2)15-10-13-6-4-3-5-7-13/h3-10,12H,1-2H3/b15-10+
InChIKeyFLSWJRLJUFZKAM-XNTDXEJSSA-N
XLogP3.77
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.77
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

N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
1-(benzylideneamino)ethanol
CID 66697160
2-methyl-5-(1-phenylethyl)furan
CID 101473282
N-[bis(trimethylsilyl)methyl]-1-phenylmethanimine
CID 71344888
N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine
CID 139081062
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
N-(2-methyl-1-phenylpropyl)-1-phenylmethanimine
CID 12733574
1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101125000
1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine
CID 21205334
2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
3-(benzylideneamino)butan-1-ol
CID 101452219
N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine
CID 22483225

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine (CID 21037717) is N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine is Cc1ccc(C(C)/N=C/c2ccccc2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine?
The InChIKey is FLSWJRLJUFZKAM-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-8-9-14(16-11)12(2)15-10-13-6-4-3-5-7-13/h3-10,12H,1-2H3/b15-10+.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine?
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine has a molecular weight of 213.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylmethanimine is sourced from PubChem (CID 21037717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).