(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine

C13H13F2NO — CID 82815162

IUPAC(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2c(F)ccc(C)c2F)o1
InChIInChI=1S/C13H13F2NO/c1-7-3-5-9(14)11(12(7)15)13(16)10-6-4-8(2)17-10/h3-6,13H,16H2,1-2H3
InChIKeyQRYROCKDGDMJBW-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.22
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine

(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine (PubChem CID 82815162) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine
PubChem CID82815162
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(C(N)c2c(F)ccc(C)c2F)o1
InChIInChI=1S/C13H13F2NO/c1-7-3-5-9(14)11(12(7)15)13(16)10-6-4-8(2)17-10/h3-6,13H,16H2,1-2H3
InChIKeyQRYROCKDGDMJBW-UHFFFAOYSA-N
XLogP3.22
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 63185829
N-[(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 82815308
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852896
(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027044
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822372
(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013679
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 82822647

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine (CID 82815162) is (2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine is Cc1ccc(C(N)c2c(F)ccc(C)c2F)o1.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine?
The InChIKey is QRYROCKDGDMJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-7-3-5-9(14)11(12(7)15)13(16)10-6-4-8(2)17-10/h3-6,13H,16H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine?
(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine has a molecular weight of 237.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 82815162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).