N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride

C17H25Cl2FN2O — CID 17331952

IUPACN',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)CCNCc1ccc(-c2ccccc2F)o1.Cl.Cl
InChIInChI=1S/C17H23FN2O.2ClH/c1-3-20(4-2)12-11-19-13-14-9-10-17(21-14)15-7-5-6-8-16(15)18;;/h5-10,19H,3-4,11-13H2,1-2H3;2*1H
InChIKeyNZIIKKWMARDLMH-UHFFFAOYSA-N
MW363.30 g/mol
LogP4.36
Rot. Bonds8

About N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride

N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride (PubChem CID 17331952) has the molecular formula C17H25Cl2FN2O and a molecular weight of 363.30 g/mol. Its IUPAC name is N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride
PubChem CID17331952
Molecular FormulaC17H25Cl2FN2O
Molecular Weight363.30 g/mol
Exact Mass362.13
IUPAC NameN',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)CCNCc1ccc(-c2ccccc2F)o1.Cl.Cl
InChIInChI=1S/C17H23FN2O.2ClH/c1-3-20(4-2)12-11-19-13-14-9-10-17(21-14)15-7-5-6-8-16(15)18;;/h5-10,19H,3-4,11-13H2,1-2H3;2*1H
InChIKeyNZIIKKWMARDLMH-UHFFFAOYSA-N
XLogP4.36
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 54.36
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',N'-dibutyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214750
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
CID 6464178
2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214280
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine
CID 17206989
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723490
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724191
2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 4723460
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 51051741
2-ethyl-2-[[[5-(2-fluorophenyl)furan-2-yl]methylamino]methyl]butanoic acid
CID 122129177
N',N'-diethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43761839
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17333054
N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 171700325

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride (CID 17331952) is N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride is CCN(CC)CCNCc1ccc(-c2ccccc2F)o1.Cl.Cl.
What is the InChIKey of N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride?
The InChIKey is NZIIKKWMARDLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O.2ClH/c1-3-20(4-2)12-11-19-13-14-9-10-17(21-14)15-7-5-6-8-16(15)18;;/h5-10,19H,3-4,11-13H2,1-2H3;2*1H.
What are the key properties of N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride?
N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride has a molecular weight of 363.30 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 17331952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).