(3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine

C14H17NO — CID 115796793

IUPAC(3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
SMILESCc1cc(C)cc(C(N)c2coc(C)c2)c1
InChIInChI=1S/C14H17NO/c1-9-4-10(2)6-12(5-9)14(15)13-7-11(3)16-8-13/h4-8,14H,15H2,1-3H3
InChIKeyPRQNXTJOTOZWDJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.25
Rot. Bonds2

About (3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine

(3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine (PubChem CID 115796793) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
PubChem CID115796793
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
SMILESCc1cc(C)cc(C(N)c2coc(C)c2)c1
InChIInChI=1S/C14H17NO/c1-9-4-10(2)6-12(5-9)14(15)13-7-11(3)16-8-13/h4-8,14H,15H2,1-3H3
InChIKeyPRQNXTJOTOZWDJ-UHFFFAOYSA-N
XLogP3.25
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(3,5-dimethylphenyl)methanamine
CID 115796405
(5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine
CID 114820136
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
CID 106682403
(5-methylfuran-3-yl)-pyridin-3-ylmethanamine
CID 115799285
(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-(5-methylfuran-3-yl)methanamine
CID 114820265
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine
CID 107293503
[2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine
CID 114819810
(2S)-2-amino-2-(5-methylfuran-3-yl)ethanol
CID 96735872
(1R)-2,2,2-trifluoro-1-(5-methylfuran-3-yl)ethanamine
CID 130611310
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143
(3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine
CID 114249239
(5-ethylfuran-2-yl)-(5-methylfuran-3-yl)methanamine
CID 114820210

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine (CID 115796793) is (3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine is Cc1cc(C)cc(C(N)c2coc(C)c2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine?
The InChIKey is PRQNXTJOTOZWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-4-10(2)6-12(5-9)14(15)13-7-11(3)16-8-13/h4-8,14H,15H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine?
(3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine has a molecular weight of 215.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine is sourced from PubChem (CID 115796793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).