(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine

C12H11F2NO — CID 79724952

IUPAC(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine
SMILESCc1cc(C(N)c2ccoc2)c(F)cc1F
InChIInChI=1S/C12H11F2NO/c1-7-4-9(11(14)5-10(7)13)12(15)8-2-3-16-6-8/h2-6,12H,15H2,1H3
InChIKeyCUATZLAAYGJPBO-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.91
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine

(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine (PubChem CID 79724952) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine
PubChem CID79724952
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine
SMILESCc1cc(C(N)c2ccoc2)c(F)cc1F
InChIInChI=1S/C12H11F2NO/c1-7-4-9(11(14)5-10(7)13)12(15)8-2-3-16-6-8/h2-6,12H,15H2,1H3
InChIKeyCUATZLAAYGJPBO-UHFFFAOYSA-N
XLogP2.91
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine
CID 115855456
(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine
CID 105398463
(3,4-dimethylphenyl)-(furan-3-yl)methanamine
CID 43464604
(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine
CID 114330324
(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 106684492
(3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 104851342
(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 79724772
(2,4-difluoro-5-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79737100
furan-3-yl-(3-methylfuran-2-yl)methanamine
CID 104804500
(4,5-dimethylthiophen-3-yl)-(furan-3-yl)methanamine
CID 130815462
(S)-(4-fluoro-3-methylphenyl)-(furan-3-yl)methanol
CID 95252370
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105397363

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine (CID 79724952) is (2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine is Cc1cc(C(N)c2ccoc2)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine?
The InChIKey is CUATZLAAYGJPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-7-4-9(11(14)5-10(7)13)12(15)8-2-3-16-6-8/h2-6,12H,15H2,1H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine?
(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine has a molecular weight of 223.22 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine is sourced from PubChem (CID 79724952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).