N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine

C18H25NO — CID 104806069

IUPACN-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cc1)c1occc1C
InChIInChI=1S/C18H25NO/c1-4-11-19-17(18-14(3)10-12-20-18)13-16-8-6-15(5-2)7-9-16/h6-10,12,17,19H,4-5,11,13H2,1-3H3
InChIKeyXLQKIQGKIJVQCN-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.43
Rot. Bonds7

About N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine

N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 104806069) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID104806069
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cc1)c1occc1C
InChIInChI=1S/C18H25NO/c1-4-11-19-17(18-14(3)10-12-20-18)13-16-8-6-15(5-2)7-9-16/h6-10,12,17,19H,4-5,11,13H2,1-3H3
InChIKeyXLQKIQGKIJVQCN-UHFFFAOYSA-N
XLogP4.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 62387853
N-[2-(3-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805826
N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805696
2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800627
N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 113455397
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805965
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63943030
N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806129
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 61079881
N-ethyl-2-(furan-3-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104805287
N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 104805932

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine (CID 104806069) is N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(CC)cc1)c1occc1C.
What is the InChIKey of N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is XLQKIQGKIJVQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-11-19-17(18-14(3)10-12-20-18)13-16-8-6-15(5-2)7-9-16/h6-10,12,17,19H,4-5,11,13H2,1-3H3.
What are the key properties of N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104806069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).