1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine

C15H19FN4 — CID 66140814

IUPAC1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(c1ccccc1F)C(CN)c1cncn1C1CC1
InChIInChI=1S/C15H19FN4/c1-19(13-5-3-2-4-12(13)16)14(8-17)15-9-18-10-20(15)11-6-7-11/h2-5,9-11,14H,6-8,17H2,1H3
InChIKeySEKFGBDCTNWKAA-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.49
Rot. Bonds5

About 1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine

1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine (PubChem CID 66140814) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
PubChem CID66140814
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
SMILESCN(c1ccccc1F)C(CN)c1cncn1C1CC1
InChIInChI=1S/C15H19FN4/c1-19(13-5-3-2-4-12(13)16)14(8-17)15-9-18-10-20(15)11-6-7-11/h2-5,9-11,14H,6-8,17H2,1H3
InChIKeySEKFGBDCTNWKAA-UHFFFAOYSA-N
XLogP2.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
CID 66141826
N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66140216
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658268
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 66142037
1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 66142235
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 66140417
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 66142234
ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
CID 66139484
3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
CID 79126295
N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66119609
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118371

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine (CID 66140814) is 1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine is CN(c1ccccc1F)C(CN)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is SEKFGBDCTNWKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-19(13-5-3-2-4-12(13)16)14(8-17)15-9-18-10-20(15)11-6-7-11/h2-5,9-11,14H,6-8,17H2,1H3.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine?
1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 274.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 66140814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).