[5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol

C18H21NO2 — CID 131908508

IUPAC[5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN(C/C=C/c2ccccc2)C2CC2)o1
InChIInChI=1S/C18H21NO2/c20-14-18-11-10-17(21-18)13-19(16-8-9-16)12-4-7-15-5-2-1-3-6-15/h1-7,10-11,16,20H,8-9,12-14H2/b7-4+
InChIKeyBZRLAOOTELLUOG-QPJJXVBHSA-N
MW283.37 g/mol
LogP3.45
Rot. Bonds7

About [5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol

[5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol (PubChem CID 131908508) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol
PubChem CID131908508
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN(C/C=C/c2ccccc2)C2CC2)o1
InChIInChI=1S/C18H21NO2/c20-14-18-11-10-17(21-18)13-19(16-8-9-16)12-4-7-15-5-2-1-3-6-15/h1-7,10-11,16,20H,8-9,12-14H2/b7-4+
InChIKeyBZRLAOOTELLUOG-QPJJXVBHSA-N
XLogP3.45
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]propanoic acid
CID 60839035
N-(3-phenylprop-2-enyl)-N-[(4-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 74064129
2-[cyclopentyl(3-phenylprop-2-enyl)amino]acetonitrile
CID 77037858
4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913
[5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol
CID 99780599
(2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid
CID 134704642
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid
CID 43656590
N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide
CID 171139697
5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750343
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
5-[[2-cyanoethyl(cyclopropyl)amino]methyl]furan-2-carboxylic acid
CID 54997252

Frequently Asked Questions

What is the IUPAC name of [5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol (CID 131908508) is [5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol is OCc1ccc(CN(C/C=C/c2ccccc2)C2CC2)o1.
What is the InChIKey of [5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is BZRLAOOTELLUOG-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H21NO2/c20-14-18-11-10-17(21-18)13-19(16-8-9-16)12-4-7-15-5-2-1-3-6-15/h1-7,10-11,16,20H,8-9,12-14H2/b7-4+.
What are the key properties of [5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol?
[5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 283.37 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 131908508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).