N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine

C15H19FN2O — CID 55084972

IUPACN'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1ccco1)Cc1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c1-18(12-13-4-2-5-14(16)10-13)8-7-17-11-15-6-3-9-19-15/h2-6,9-10,17H,7-8,11-12H2,1H3
InChIKeyNMMIDPXVKJFCKH-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.64
Rot. Bonds7

About N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine

N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 55084972) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID55084972
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1ccco1)Cc1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c1-18(12-13-4-2-5-14(16)10-13)8-7-17-11-15-6-3-9-19-15/h2-6,9-10,17H,7-8,11-12H2,1H3
InChIKeyNMMIDPXVKJFCKH-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62558206
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574525
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
CID 115634120
N'-[(5-chlorothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62554030
N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62419238
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
2-[2-(3-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 43401439
N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 60957165
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62998676

Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine (CID 55084972) is N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine is CN(CCNCc1ccco1)Cc1cccc(F)c1.
What is the InChIKey of N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is NMMIDPXVKJFCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-18(12-13-4-2-5-14(16)10-13)8-7-17-11-15-6-3-9-19-15/h2-6,9-10,17H,7-8,11-12H2,1H3.
What are the key properties of N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine?
N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 262.33 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55084972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).