1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine

C18H25NO — CID 43515376

IUPAC1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
SMILESCCCCc1ccc(C(C)NCCc2ccco2)cc1
InChIInChI=1S/C18H25NO/c1-3-4-6-16-8-10-17(11-9-16)15(2)19-13-12-18-7-5-14-20-18/h5,7-11,14-15,19H,3-4,6,12-13H2,1-2H3
InChIKeyNAHBXUZPLIZVLI-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.52
Rot. Bonds8

About 1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine

1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine (PubChem CID 43515376) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
PubChem CID43515376
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
SMILESCCCCc1ccc(C(C)NCCc2ccco2)cc1
InChIInChI=1S/C18H25NO/c1-3-4-6-16-8-10-17(11-9-16)15(2)19-13-12-18-7-5-14-20-18/h5,7-11,14-15,19H,3-4,6,12-13H2,1-2H3
InChIKeyNAHBXUZPLIZVLI-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
1-(3-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515429
N-[1-(4-butylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63478035
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208219
1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230971
1-(3-fluoro-4-methoxyphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515412
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine
CID 43776470

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine (CID 43515376) is 1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine is CCCCc1ccc(C(C)NCCc2ccco2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine?
The InChIKey is NAHBXUZPLIZVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-4-6-16-8-10-17(11-9-16)15(2)19-13-12-18-7-5-14-20-18/h5,7-11,14-15,19H,3-4,6,12-13H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine?
1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 43515376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).