N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine

C16H21NO — CID 115855374

IUPACN-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine
SMILESCCNC(c1ccoc1)C(CC)c1ccccc1
InChIInChI=1S/C16H21NO/c1-3-15(13-8-6-5-7-9-13)16(17-4-2)14-10-11-18-12-14/h5-12,15-17H,3-4H2,1-2H3
InChIKeyWLRNWLINAHHIHS-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.12
Rot. Bonds6

About N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine

N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine (PubChem CID 115855374) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine
PubChem CID115855374
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine
SMILESCCNC(c1ccoc1)C(CC)c1ccccc1
InChIInChI=1S/C16H21NO/c1-3-15(13-8-6-5-7-9-13)16(17-4-2)14-10-11-18-12-14/h5-12,15-17H,3-4H2,1-2H3
InChIKeyWLRNWLINAHHIHS-UHFFFAOYSA-N
XLogP4.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
CID 103135118
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine
CID 105033012
1-(3-bromothiophen-2-yl)-N-ethyl-2-phenylbutan-1-amine
CID 80535854
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine
CID 106464980
1-(2,4-dichlorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 63502079
N-ethyl-1-(furan-3-yl)-3-phenoxypropan-1-amine
CID 63948564
N-ethyl-3-phenylheptan-4-amine
CID 83051533
2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine
CID 65136268
1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine
CID 105049307
N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855553
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine?
The IUPAC name of N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine (CID 115855374) is N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine is CCNC(c1ccoc1)C(CC)c1ccccc1.
What is the InChIKey of N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine?
The InChIKey is WLRNWLINAHHIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-15(13-8-6-5-7-9-13)16(17-4-2)14-10-11-18-12-14/h5-12,15-17H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine?
N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine is sourced from PubChem (CID 115855374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).