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

C16H21FN2O — CID 114831179

IUPAC3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(Cc1ccoc1)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C16H21FN2O/c1-16(12-18,9-13-4-3-5-15(17)8-13)19(2)10-14-6-7-20-11-14/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyPFWVUINGSTWBRJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.81
Rot. Bonds6

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

3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 114831179) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID114831179
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCN(Cc1ccoc1)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C16H21FN2O/c1-16(12-18,9-13-4-3-5-15(17)8-13)19(2)10-14-6-7-20-11-14/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyPFWVUINGSTWBRJ-UHFFFAOYSA-N
XLogP2.81
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 114831216
2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831424
2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831415
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 114831430
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine
CID 114831009
2-N-ethyl-3-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 114831173
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114831044
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
1-(3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61422331
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 28802156
2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine
CID 61422931
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(1-thiophen-2-ylethyl)propane-1,2-diamine
CID 114831246

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine (CID 114831179) is 3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine is CN(Cc1ccoc1)C(C)(CN)Cc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is PFWVUINGSTWBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-16(12-18,9-13-4-3-5-15(17)8-13)19(2)10-14-6-7-20-11-14/h3-8,11H,9-10,12,18H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine?
3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 276.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 114831179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).