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

C15H19FN2O — CID 55089579

IUPACN'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNCc1ccoc1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-2-18(15-5-3-14(16)4-6-15)9-8-17-11-13-7-10-19-12-13/h3-7,10,12,17H,2,8-9,11H2,1H3
InChIKeyFJBOXMQRQSZIAD-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.03
Rot. Bonds7

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

N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 55089579) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine
PubChem CID55089579
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNCc1ccoc1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-2-18(15-5-3-14(16)4-6-15)9-8-17-11-13-7-10-19-12-13/h3-7,10,12,17H,2,8-9,11H2,1H3
InChIKeyFJBOXMQRQSZIAD-UHFFFAOYSA-N
XLogP3.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554048
N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
CID 62575992
N-(furan-3-ylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554753
N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride
CID 53351243
N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 62555031
N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62554647
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N,N-diethyl-4-fluoroaniline
CID 592416
N',N'-diethyl-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294526
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine (CID 55089579) is N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine is CCN(CCNCc1ccoc1)c1ccc(F)cc1.
What is the InChIKey of N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is FJBOXMQRQSZIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-2-18(15-5-3-14(16)4-6-15)9-8-17-11-13-7-10-19-12-13/h3-7,10,12,17H,2,8-9,11H2,1H3.
What are the key properties of N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 262.33 g/mol, XLogP of 3.03, 7 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)-N-(furan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 55089579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).