N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine

C22H23NO — CID 139920537

IUPACN,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine
SMILESCN(C)Cc1ccc(Cc2cccc(/C=C/c3ccccc3)c2)o1
InChIInChI=1S/C22H23NO/c1-23(2)17-22-14-13-21(24-22)16-20-10-6-9-19(15-20)12-11-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3/b12-11+
InChIKeyXTXRYIPDTJVTHX-VAWYXSNFSA-N
MW317.43 g/mol
LogP5.10
Rot. Bonds6

About N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine

N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine (PubChem CID 139920537) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine
PubChem CID139920537
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC NameN,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine
SMILESCN(C)Cc1ccc(Cc2cccc(/C=C/c3ccccc3)c2)o1
InChIInChI=1S/C22H23NO/c1-23(2)17-22-14-13-21(24-22)16-20-10-6-9-19(15-20)12-11-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3/b12-11+
InChIKeyXTXRYIPDTJVTHX-VAWYXSNFSA-N
XLogP5.10
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan
CID 139920543
3-[3-[(dimethylamino)methyl]phenyl]-N,N-dimethylprop-2-enamide
CID 69456517
N,N-dimethylmethanamine;stilbene
CID 174368184
2-(methylamino)-3-[3-[(Z)-2-phenylethenyl]phenyl]propanoic acid
CID 143394001
2-[3-[(E)-2-phenylethenyl]phenyl]acetamide
CID 69082442
(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 42773296
1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene
CID 146834185
3-[3-[[3-(dimethylamino)propyl-methylamino]methyl]phenyl]prop-2-enoic acid
CID 77017482
(E)-3-[3-[[ethyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375421
1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine
CID 50852257
3-[3-[(N,2-dimethylanilino)methyl]phenyl]prop-2-enoic acid
CID 76931011
(E)-3-[3-[[methyl(pentyl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375462

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine (CID 139920537) is N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine is CN(C)Cc1ccc(Cc2cccc(/C=C/c3ccccc3)c2)o1.
What is the InChIKey of N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine?
The InChIKey is XTXRYIPDTJVTHX-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H23NO/c1-23(2)17-22-14-13-21(24-22)16-20-10-6-9-19(15-20)12-11-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3/b12-11+.
What are the key properties of N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine?
N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine has a molecular weight of 317.43 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[[3-[(E)-2-phenylethenyl]phenyl]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 139920537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).