N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine

C14H15NO — CID 5166148

IUPACN-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESC(=Cc1ccccc1)CNCc1ccco1
InChIInChI=1S/C14H15NO/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14/h1-9,11,15H,10,12H2
InChIKeyWDHMAQBFXIZWTE-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.08
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine

N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine (PubChem CID 5166148) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine
PubChem CID5166148
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESC(=Cc1ccccc1)CNCc1ccco1
InChIInChI=1S/C14H15NO/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14/h1-9,11,15H,10,12H2
InChIKeyWDHMAQBFXIZWTE-UHFFFAOYSA-N
XLogP3.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine
CID 62339939
(E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine
CID 79496015
2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol
CID 111468728
(Z)-N-(furan-2-ylmethyl)-3-phenyl-N-[(Z)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 7323739
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
(E)-3-phenyl-N-(pyridin-4-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 17292720
(E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 17292721
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
CID 99726876
(Z)-3-phenyl-N-(2-phenylethyl)prop-2-en-1-amine
CID 93072278
2,2-difluoro-3-[[(E)-3-phenylprop-2-enyl]amino]propan-1-ol
CID 104857586
N-(furan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109018456

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine (CID 5166148) is N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine is C(=Cc1ccccc1)CNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine?
The InChIKey is WDHMAQBFXIZWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14/h1-9,11,15H,10,12H2.
What are the key properties of N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine?
N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine has a molecular weight of 213.28 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 5166148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).