1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine

C18H25NO — CID 105097322

IUPAC1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccco1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H25NO/c1-4-9-19-18(8-7-17-6-5-10-20-17)16-12-14(2)11-15(3)13-16/h5-6,10-13,18-19H,4,7-9H2,1-3H3
InChIKeyFSQGPELULZLLCZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.57
Rot. Bonds7

About 1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine

1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine (PubChem CID 105097322) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
PubChem CID105097322
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccco1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H25NO/c1-4-9-19-18(8-7-17-6-5-10-20-17)16-12-14(2)11-15(3)13-16/h5-6,10-13,18-19H,4,7-9H2,1-3H3
InChIKeyFSQGPELULZLLCZ-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105143097
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140242
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105397187
3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 105146576
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105184733
1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine
CID 105170638
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105087868
1-(2,5-dimethylphenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105120302

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine (CID 105097322) is 1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine is CCCNC(CCc1ccco1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
The InChIKey is FSQGPELULZLLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-9-19-18(8-7-17-6-5-10-20-17)16-12-14(2)11-15(3)13-16/h5-6,10-13,18-19H,4,7-9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105097322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).