N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine

C17H23NO — CID 43684931

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)c1ccc(C)o1)c1ccccc1
InChIInChI=1S/C17H23NO/c1-4-8-16(15-9-6-5-7-10-15)18-14(3)17-12-11-13(2)19-17/h5-7,9-12,14,16,18H,4,8H2,1-3H3
InChIKeyINEZTKXUFBWXEI-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.78
Rot. Bonds6

About N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine

N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine (PubChem CID 43684931) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine
PubChem CID43684931
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)c1ccc(C)o1)c1ccccc1
InChIInChI=1S/C17H23NO/c1-4-8-16(15-9-6-5-7-10-15)18-14(3)17-12-11-13(2)19-17/h5-7,9-12,14,16,18H,4,8H2,1-3H3
InChIKeyINEZTKXUFBWXEI-UHFFFAOYSA-N
XLogP4.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine
CID 106387943
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
CID 103602127
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-1-amine
CID 81359932
1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 115769765
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753
N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720303
1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 112631399
N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720327

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine (CID 43684931) is N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine is CCCC(NC(C)c1ccc(C)o1)c1ccccc1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is INEZTKXUFBWXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-8-16(15-9-6-5-7-10-15)18-14(3)17-12-11-13(2)19-17/h5-7,9-12,14,16,18H,4,8H2,1-3H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine?
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43684931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).