N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine

C16H19NO — CID 3150629

IUPACN-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine
SMILESC=CCC(NCc1ccco1)c1ccc(C)cc1
InChIInChI=1S/C16H19NO/c1-3-5-16(14-9-7-13(2)8-10-14)17-12-15-6-4-11-18-15/h3-4,6-11,16-17H,1,5,12H2,2H3
InChIKeyLCKYLXSRRAZZBQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.00
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine

N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine (PubChem CID 3150629) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine
PubChem CID3150629
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine
SMILESC=CCC(NCc1ccco1)c1ccc(C)cc1
InChIInChI=1S/C16H19NO/c1-3-5-16(14-9-7-13(2)8-10-14)17-12-15-6-4-11-18-15/h3-4,6-11,16-17H,1,5,12H2,2H3
InChIKeyLCKYLXSRRAZZBQ-UHFFFAOYSA-N
XLogP4.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

furan-2-ylmethyl-[(1R)-1-(4-methylphenyl)but-3-enyl]azanium
CID 6944805
1-(furan-2-yl)-N-methylbut-3-en-1-amine
CID 62715262
(2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol
CID 11448905
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate
CID 83320549
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43200433
N-(1-phenylbut-3-enyl)furan-2-amine chloride
CID 53312740
3-[[(1S)-1-(4-methylphenyl)but-3-enyl]amino]-1,3-oxazolidin-2-one
CID 102352883
N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617370
N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9391859
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 115651392
(1S)-N-benzyl-1-(4-chlorophenyl)but-3-en-1-amine
CID 2431007

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine (CID 3150629) is N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine is C=CCC(NCc1ccco1)c1ccc(C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine?
The InChIKey is LCKYLXSRRAZZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-5-16(14-9-7-13(2)8-10-14)17-12-15-6-4-11-18-15/h3-4,6-11,16-17H,1,5,12H2,2H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine?
N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine has a molecular weight of 241.33 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methylphenyl)but-3-en-1-amine is sourced from PubChem (CID 3150629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).