(3,4-dimethylphenyl)-(furan-3-yl)methanamine

C13H15NO — CID 43464604

IUPAC(3,4-dimethylphenyl)-(furan-3-yl)methanamine
SMILESCc1ccc(C(N)c2ccoc2)cc1C
InChIInChI=1S/C13H15NO/c1-9-3-4-11(7-10(9)2)13(14)12-5-6-15-8-12/h3-8,13H,14H2,1-2H3
InChIKeyAEOJBDRBYIVMAX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.94
Rot. Bonds2

About (3,4-dimethylphenyl)-(furan-3-yl)methanamine

(3,4-dimethylphenyl)-(furan-3-yl)methanamine (PubChem CID 43464604) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(furan-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(furan-3-yl)methanamine
PubChem CID43464604
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(3,4-dimethylphenyl)-(furan-3-yl)methanamine
SMILESCc1ccc(C(N)c2ccoc2)cc1C
InChIInChI=1S/C13H15NO/c1-9-3-4-11(7-10(9)2)13(14)12-5-6-15-8-12/h3-8,13H,14H2,1-2H3
InChIKeyAEOJBDRBYIVMAX-UHFFFAOYSA-N
XLogP2.94
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine
CID 114330324
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143
furan-3-yl-(3-methylfuran-2-yl)methanamine
CID 104804500
5-[amino(furan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 55053661
furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 115855557
(3-bromophenyl)-(furan-3-yl)methanamine;methanethione
CID 143594440
(3,5-dichlorophenyl)-(furan-3-yl)methanamine
CID 115855603
(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine
CID 79724952
(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83056988
(5-bromo-4-methylthiophen-2-yl)-(furan-3-yl)methanamine
CID 79992382
(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine
CID 106848700
furan-3-yl-(4-propylphenyl)methanamine
CID 43464286

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(furan-3-yl)methanamine?
The IUPAC name of (3,4-dimethylphenyl)-(furan-3-yl)methanamine (CID 43464604) is (3,4-dimethylphenyl)-(furan-3-yl)methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-(furan-3-yl)methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-(furan-3-yl)methanamine is Cc1ccc(C(N)c2ccoc2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(furan-3-yl)methanamine?
The InChIKey is AEOJBDRBYIVMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-3-4-11(7-10(9)2)13(14)12-5-6-15-8-12/h3-8,13H,14H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(furan-3-yl)methanamine?
(3,4-dimethylphenyl)-(furan-3-yl)methanamine has a molecular weight of 201.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(furan-3-yl)methanamine is sourced from PubChem (CID 43464604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).