1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea

C15H22FN3O — CID 63766530

IUPAC1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea
SMILESNCCN(C(=O)Nc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C15H22FN3O/c16-12-6-8-13(9-7-12)18-15(20)19(11-10-17)14-4-2-1-3-5-14/h6-9,14H,1-5,10-11,17H2,(H,18,20)
InChIKeyQFHVTPORAAYEMS-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.95
Rot. Bonds4

About 1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea

1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea (PubChem CID 63766530) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea
PubChem CID63766530
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea
SMILESNCCN(C(=O)Nc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C15H22FN3O/c16-12-6-8-13(9-7-12)18-15(20)19(11-10-17)14-4-2-1-3-5-14/h6-9,14H,1-5,10-11,17H2,(H,18,20)
InChIKeyQFHVTPORAAYEMS-UHFFFAOYSA-N
XLogP2.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea
CID 102874295
1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
2-(aminomethyl)-N-(4-fluorophenyl)azepane-1-carboxamide
CID 116640093
3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
CID 102865027
3-(4-chlorophenyl)-1-cyclohexyl-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4213584
ethyl 3-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]propanoate
CID 42698446
3-(6-chloro-3-pyridinyl)-1-cyclohexyl-1-(2-hydroxyethyl)urea
CID 72932044
N-(2-aminoethyl)-N-cyclobutyl-2-(2,4-difluorophenyl)acetamide
CID 102874077
1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
CID 43319501
1-cyclohexyl-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylphenyl)urea
CID 42762814

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea (CID 63766530) is 1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea is NCCN(C(=O)Nc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea?
The InChIKey is QFHVTPORAAYEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-12-6-8-13(9-7-12)18-15(20)19(11-10-17)14-4-2-1-3-5-14/h6-9,14H,1-5,10-11,17H2,(H,18,20).
What are the key properties of 1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea?
1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea has a molecular weight of 279.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea is sourced from PubChem (CID 63766530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).