N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine

C16H21NO — CID 115708089

IUPACN-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine
SMILESCC(NCCCCc1ccccc1)c1ccco1
InChIInChI=1S/C16H21NO/c1-14(16-11-7-13-18-16)17-12-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,11,13-14,17H,5-6,10,12H2,1H3
InChIKeyVSTBQDHITKIXPA-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.95
Rot. Bonds7

About N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine

N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine (PubChem CID 115708089) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine
PubChem CID115708089
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine
SMILESCC(NCCCCc1ccccc1)c1ccco1
InChIInChI=1S/C16H21NO/c1-14(16-11-7-13-18-16)17-12-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,11,13-14,17H,5-6,10,12H2,1H3
InChIKeyVSTBQDHITKIXPA-UHFFFAOYSA-N
XLogP3.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.95
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

N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
5-[1-(furan-2-yl)ethylamino]pentanenitrile
CID 60698105
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-phenylbutan-1-amine
CID 114333297
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
1-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43178043

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine (CID 115708089) is N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine is CC(NCCCCc1ccccc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine?
The InChIKey is VSTBQDHITKIXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-14(16-11-7-13-18-16)17-12-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,11,13-14,17H,5-6,10,12H2,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine?
N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine is sourced from PubChem (CID 115708089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).