N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine

C17H25NO — CID 102653514

IUPACN-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H25NO/c1-5-8-18-17(15-7-6-9-19-15)16-13(3)10-12(2)11-14(16)4/h7,10-11,17-18H,5-6,8-9H2,1-4H3
InChIKeyOQNFLBYCXVFHTM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.96
Rot. Bonds5

About N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine

N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine (PubChem CID 102653514) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
PubChem CID102653514
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H25NO/c1-5-8-18-17(15-7-6-9-19-15)16-13(3)10-12(2)11-14(16)4/h7,10-11,17-18H,5-6,8-9H2,1-4H3
InChIKeyOQNFLBYCXVFHTM-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,4-dihydro-2H-pyran-6-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102649355
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 102653281
N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine
CID 102653283
N-[(5-bromo-2-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653170
N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 102651437
N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 102651379
N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
CID 102651455
N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102651524
N-[(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649482
N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653631
N-[2,3-dihydrofuran-5-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 102651984
1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 102653596

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine (CID 102653514) is N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine is CCCNC(C1=CCCO1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The InChIKey is OQNFLBYCXVFHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-8-18-17(15-7-6-9-19-15)16-13(3)10-12(2)11-14(16)4/h7,10-11,17-18H,5-6,8-9H2,1-4H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 102653514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).