(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine

C13H15NO — CID 51690800

IUPAC(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
SMILESCc1ccc([C@H](N)c2ccco2)c(C)c1
InChIInChI=1S/C13H15NO/c1-9-5-6-11(10(2)8-9)13(14)12-4-3-7-15-12/h3-8,13H,14H2,1-2H3/t13-/m0/s1
InChIKeyWPJAAUMYHLQNOL-ZDUSSCGKSA-N
MW201.27 g/mol
LogP2.94
Rot. Bonds2

About (S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine

(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine (PubChem CID 51690800) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine.

Molecular Properties

Compound Name(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
PubChem CID51690800
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
SMILESCc1ccc([C@H](N)c2ccco2)c(C)c1
InChIInChI=1S/C13H15NO/c1-9-5-6-11(10(2)8-9)13(14)12-4-3-7-15-12/h3-8,13H,14H2,1-2H3/t13-/m0/s1
InChIKeyWPJAAUMYHLQNOL-ZDUSSCGKSA-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

furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753944
(2-bromo-5-methylphenyl)-(furan-2-yl)methanamine
CID 81109749
(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
CID 107513300
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489925
(4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine
CID 130495135
furan-2-yl-(2,4,5-trifluorophenyl)methanamine
CID 103301909
3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline
CID 116936668
(3-chloro-2-methylphenyl)-(furan-2-yl)methanamine
CID 107096502
(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine
CID 115368966
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
(3,5-dichlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43096001

Frequently Asked Questions

What is the IUPAC name of (S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine?
The IUPAC name of (S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine (CID 51690800) is (S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine.
What is the SMILES notation for (S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine?
The canonical SMILES for (S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine is Cc1ccc([C@H](N)c2ccco2)c(C)c1.
What is the InChIKey of (S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine?
The InChIKey is WPJAAUMYHLQNOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-5-6-11(10(2)8-9)13(14)12-4-3-7-15-12/h3-8,13H,14H2,1-2H3/t13-/m0/s1.
What are the key properties of (S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine?
(S)-(2,4-dimethylphenyl)-(furan-2-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 (S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine is sourced from PubChem (CID 51690800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).