1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea

C11H14F3N3O — CID 63732530

IUPAC1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(N)CNC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3N3O/c1-7(15)6-16-10(18)17-9-4-2-8(3-5-9)11(12,13)14/h2-5,7H,6,15H2,1H3,(H2,16,17,18)
InChIKeyLHZRJKOQLVBQMK-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.17
Rot. Bonds3

About 1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 63732530) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID63732530
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(N)CNC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3N3O/c1-7(15)6-16-10(18)17-9-4-2-8(3-5-9)11(12,13)14/h2-5,7H,6,15H2,1H3,(H2,16,17,18)
InChIKeyLHZRJKOQLVBQMK-UHFFFAOYSA-N
XLogP2.17
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63767514
1-(cyanomethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61314990
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 67816843
1-(4-aminobutyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 55102555
N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108941680
1-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 98000588
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60799942
1-(3-oxopentan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 64994242

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 63732530) is 1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea is CC(N)CNC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is LHZRJKOQLVBQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7(15)6-16-10(18)17-9-4-2-8(3-5-9)11(12,13)14/h2-5,7H,6,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 261.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 63732530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).