N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine

C16H19NO — CID 118989015

IUPACN-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine
SMILESC=C(C)CC(c1ccccc1)N(C)c1ccco1
InChIInChI=1S/C16H19NO/c1-13(2)12-15(14-8-5-4-6-9-14)17(3)16-10-7-11-18-16/h4-11,15H,1,12H2,2-3H3
InChIKeyYEDIUENWWMMDML-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.42
Rot. Bonds5

About N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine

N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine (PubChem CID 118989015) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine
PubChem CID118989015
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine
SMILESC=C(C)CC(c1ccccc1)N(C)c1ccco1
InChIInChI=1S/C16H19NO/c1-13(2)12-15(14-8-5-4-6-9-14)17(3)16-10-7-11-18-16/h4-11,15H,1,12H2,2-3H3
InChIKeyYEDIUENWWMMDML-UHFFFAOYSA-N
XLogP4.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbut-3-enyl]acetamide
CID 893766
N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide
CID 3147167
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine
CID 131000468
N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
CID 3147174
N-(3-methyl-1-phenylbut-3-enyl)-N-pent-4-enylaniline
CID 102510383
N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793
N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 14958608
(3-methyl-1-phenylbut-3-enyl)hydrazine
CID 105199371
4-methyl-N-(3-methyl-1-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide
CID 101488131
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
(3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 95119513

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine?
The IUPAC name of N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine (CID 118989015) is N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine.
What is the SMILES notation for N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine?
The canonical SMILES for N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine is C=C(C)CC(c1ccccc1)N(C)c1ccco1.
What is the InChIKey of N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine?
The InChIKey is YEDIUENWWMMDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(2)12-15(14-8-5-4-6-9-14)17(3)16-10-7-11-18-16/h4-11,15H,1,12H2,2-3H3.
What are the key properties of N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine?
N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methyl-1-phenylbut-3-enyl)furan-2-amine is sourced from PubChem (CID 118989015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).