N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine

C17H23NO — CID 43121361

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine
SMILESCc1cc(C(C)NCCCc2ccccc2)c(C)o1
InChIInChI=1S/C17H23NO/c1-13-12-17(15(3)19-13)14(2)18-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12,14,18H,7,10-11H2,1-3H3
InChIKeyHYPHAENCLRQFMD-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.18
Rot. Bonds6

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine (PubChem CID 43121361) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine
PubChem CID43121361
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine
SMILESCc1cc(C(C)NCCCc2ccccc2)c(C)o1
InChIInChI=1S/C17H23NO/c1-13-12-17(15(3)19-13)14(2)18-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12,14,18H,7,10-11H2,1-3H3
InChIKeyHYPHAENCLRQFMD-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
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-(2,5-dimethylfuran-3-yl)ethyl]-4-phenylbutan-1-amine
CID 114333297
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
CID 43081126
1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol
CID 115791080
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide
CID 60864839
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
CID 64913851
1-(2,5-dimethylfuran-3-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981125
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
methyl 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanoate
CID 54920642
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine (CID 43121361) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine is Cc1cc(C(C)NCCCc2ccccc2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine?
The InChIKey is HYPHAENCLRQFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13-12-17(15(3)19-13)14(2)18-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12,14,18H,7,10-11H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 43121361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).