N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride

C15H21ClN2O — CID 171700325

IUPACN',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride
SMILESCN(C)CCNCc1ccc(-c2ccccc2)o1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-17(2)11-10-16-12-14-8-9-15(18-14)13-6-4-3-5-7-13;/h3-9,16H,10-12H2,1-2H3;1H
InChIKeyVFWUBRIMLXVTNR-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.02
Rot. Bonds6

About N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride

N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride (PubChem CID 171700325) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride
PubChem CID171700325
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride
SMILESCN(C)CCNCc1ccc(-c2ccccc2)o1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-17(2)11-10-16-12-14-8-9-15(18-14)13-6-4-3-5-7-13;/h3-9,16H,10-12H2,1-2H3;1H
InChIKeyVFWUBRIMLXVTNR-UHFFFAOYSA-N
XLogP3.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.02
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-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 4725254
1-[4-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725000
(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
CID 8622014
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17331982
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4724521
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
2,2-dimethyl-4-[(5-phenylfuran-2-yl)methylamino]butanoic acid
CID 122126799
(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol
CID 8639245
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17056331
3-morpholin-4-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine;dihydrochloride
CID 6456966
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
CID 119123049
4-chloro-3-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]benzoic acid
CID 17216276

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride?
The IUPAC name of N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride (CID 171700325) is N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride is CN(C)CCNCc1ccc(-c2ccccc2)o1.Cl.
What is the InChIKey of N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride?
The InChIKey is VFWUBRIMLXVTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-17(2)11-10-16-12-14-8-9-15(18-14)13-6-4-3-5-7-13;/h3-9,16H,10-12H2,1-2H3;1H.
What are the key properties of N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride?
N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171700325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).