N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine

C13H13ClFNO — CID 43624793

IUPACN-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(F)cc2Cl)o1
InChIInChI=1S/C13H13ClFNO/c1-2-16-8-10-4-6-13(17-10)11-5-3-9(15)7-12(11)14/h3-7,16H,2,8H2,1H3
InChIKeyLCITXQYWCZYXCD-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.85
Rot. Bonds4

About N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine

N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine (PubChem CID 43624793) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
PubChem CID43624793
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC NameN-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(F)cc2Cl)o1
InChIInChI=1S/C13H13ClFNO/c1-2-16-8-10-4-6-13(17-10)11-5-3-9(15)7-12(11)14/h3-7,16H,2,8H2,1H3
InChIKeyLCITXQYWCZYXCD-UHFFFAOYSA-N
XLogP3.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 43624933
N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106889030
1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine
CID 63085980
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline
CID 1446213
N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine
CID 104724948
N-[[5-(2,3,4,6-tetrachlorophenyl)furan-2-yl]methyl]ethanamine
CID 106889099
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol
CID 111448827
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol
CID 119134619
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17056161
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624782

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine (CID 43624793) is N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2ccc(F)cc2Cl)o1.
What is the InChIKey of N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is LCITXQYWCZYXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-2-16-8-10-4-6-13(17-10)11-5-3-9(15)7-12(11)14/h3-7,16H,2,8H2,1H3.
What are the key properties of N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine?
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 253.70 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 43624793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).