(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine

C13H12ClF2NO — CID 82783479

IUPAC(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cc(F)c(Cl)cc2F)o1
InChIInChI=1S/C13H12ClF2NO/c1-2-7-3-4-12(18-7)13(17)8-5-11(16)9(14)6-10(8)15/h3-6,13H,2,17H2,1H3
InChIKeyGJLBEZDUOMQPST-UHFFFAOYSA-N
MW271.69 g/mol
LogP3.82
Rot. Bonds3

About (4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine

(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine (PubChem CID 82783479) has the molecular formula C13H12ClF2NO and a molecular weight of 271.69 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine
PubChem CID82783479
Molecular FormulaC13H12ClF2NO
Molecular Weight271.69 g/mol
Exact Mass271.06
IUPAC Name(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cc(F)c(Cl)cc2F)o1
InChIInChI=1S/C13H12ClF2NO/c1-2-7-3-4-12(18-7)13(17)8-5-11(16)9(14)6-10(8)15/h3-6,13H,2,17H2,1H3
InChIKeyGJLBEZDUOMQPST-UHFFFAOYSA-N
XLogP3.82
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-methoxyphenyl)-(5-ethylfuran-2-yl)methanamine
CID 55061748
(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62345677
1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62344613
(4-bromo-3-chlorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 81290852
[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
CID 79094081
(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095609
(5-ethylfuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758778
(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 106684492
(5-ethylfuran-2-yl)-naphthalen-1-ylmethanamine
CID 62345330
(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858401

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine (CID 82783479) is (4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine is CCc1ccc(C(N)c2cc(F)c(Cl)cc2F)o1.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine?
The InChIKey is GJLBEZDUOMQPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2NO/c1-2-7-3-4-12(18-7)13(17)8-5-11(16)9(14)6-10(8)15/h3-6,13H,2,17H2,1H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine?
(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine has a molecular weight of 271.69 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine is sourced from PubChem (CID 82783479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).