2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine

C13H17NO — CID 102653132

IUPAC2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)C2=CCCO2)c1
InChIInChI=1S/C13H17NO/c1-9-6-10(2)8-11(7-9)13(14)12-4-3-5-15-12/h4,6-8,13H,3,5,14H2,1-2H3
InChIKeyFQXLERCRCNTMKM-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.61
Rot. Bonds2

About 2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine

2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine (PubChem CID 102653132) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine
PubChem CID102653132
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)C2=CCCO2)c1
InChIInChI=1S/C13H17NO/c1-9-6-10(2)8-11(7-9)13(14)12-4-3-5-15-12/h4,6-8,13H,3,5,14H2,1-2H3
InChIKeyFQXLERCRCNTMKM-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methyl]hydrazine
CID 102654461
1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 102653596
(3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine
CID 107947022
2,3-dihydrofuran-5-yl-(4-ethylphenyl)methanamine
CID 102651207
bis(3,5-dimethylphenyl)methanamine
CID 115796405
2,3-dihydrofuran-5-yl-(3-fluoro-5-methylphenyl)methanol
CID 102653797
1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652981
2,3-dihydrofuran-5-yl-(2-fluoro-3-methylphenyl)methanamine
CID 102653149
1-(2,3-dihydrofuran-5-yl)pentan-1-amine
CID 102651898
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
2,3-dihydrofuran-5-yl(thiophen-2-yl)methanamine
CID 102651186

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine?
The IUPAC name of 2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine (CID 102653132) is 2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)C2=CCCO2)c1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine?
The InChIKey is FQXLERCRCNTMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-6-10(2)8-11(7-9)13(14)12-4-3-5-15-12/h4,6-8,13H,3,5,14H2,1-2H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine?
2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine has a molecular weight of 203.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 102653132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).