N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine

C14H17FN2O — CID 63208552

IUPACN-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
SMILESCCN(c1ccc(F)cc1)C(CN)c1ccoc1
InChIInChI=1S/C14H17FN2O/c1-2-17(13-5-3-12(15)4-6-13)14(9-16)11-7-8-18-10-11/h3-8,10,14H,2,9,16H2,1H3
InChIKeyAQLPHFWPVJHBAB-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.94
Rot. Bonds5

About N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine

N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine (PubChem CID 63208552) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
PubChem CID63208552
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
SMILESCCN(c1ccc(F)cc1)C(CN)c1ccoc1
InChIInChI=1S/C14H17FN2O/c1-2-17(13-5-3-12(15)4-6-13)14(9-16)11-7-8-18-10-11/h3-8,10,14H,2,9,16H2,1H3
InChIKeyAQLPHFWPVJHBAB-UHFFFAOYSA-N
XLogP2.94
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 63208197
N-ethyl-1-(4-fluoro-3-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 62121848
1-(4-bromo-3-fluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 81432197
N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
CID 65378964
3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65185271
1-(4-bromophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63404268
1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62002195
1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 63208199
N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
CID 107397834
1-(2,3-difluorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63668426
1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 63208600
1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61422331

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine (CID 63208552) is N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine is CCN(c1ccc(F)cc1)C(CN)c1ccoc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine?
The InChIKey is AQLPHFWPVJHBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-17(13-5-3-12(15)4-6-13)14(9-16)11-7-8-18-10-11/h3-8,10,14H,2,9,16H2,1H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine?
N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine has a molecular weight of 248.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 63208552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).