2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine

C17H23FN2O — CID 114831173

IUPAC2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
SMILESCCN(Cc1ccco1)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C17H23FN2O/c1-3-20(12-16-8-5-9-21-16)17(2,13-19)11-14-6-4-7-15(18)10-14/h4-10H,3,11-13,19H2,1-2H3
InChIKeyGJDZIKHWDLJRLB-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.20
Rot. Bonds7

About 2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine

2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine (PubChem CID 114831173) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
PubChem CID114831173
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
SMILESCCN(Cc1ccco1)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C17H23FN2O/c1-3-20(12-16-8-5-9-21-16)17(2,13-19)11-14-6-4-7-15(18)10-14/h4-10H,3,11-13,19H2,1-2H3
InChIKeyGJDZIKHWDLJRLB-UHFFFAOYSA-N
XLogP3.20
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114831044
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine
CID 114831009
3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831179
2-N-cyclohexyl-2-N-ethyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831000
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646008
2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831424
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 114831430
2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831415
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 114831216
1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007950

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine (CID 114831173) is 2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine is CCN(Cc1ccco1)C(C)(CN)Cc1cccc(F)c1.
What is the InChIKey of 2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine?
The InChIKey is GJDZIKHWDLJRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-3-20(12-16-8-5-9-21-16)17(2,13-19)11-14-6-4-7-15(18)10-14/h4-10H,3,11-13,19H2,1-2H3.
What are the key properties of 2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine?
2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine has a molecular weight of 290.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 114831173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).