1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea

C14H20F3N3O — CID 63227876

IUPAC1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea
SMILESCCNC(C)c1cccc(NC(=O)NCCC(F)(F)F)c1
InChIInChI=1S/C14H20F3N3O/c1-3-18-10(2)11-5-4-6-12(9-11)20-13(21)19-8-7-14(15,16)17/h4-6,9-10,18H,3,7-8H2,1-2H3,(H2,19,20,21)
InChIKeyKPLCGELEAPKSDB-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.43
Rot. Bonds6

About 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea

1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea (PubChem CID 63227876) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea
PubChem CID63227876
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea
SMILESCCNC(C)c1cccc(NC(=O)NCCC(F)(F)F)c1
InChIInChI=1S/C14H20F3N3O/c1-3-18-10(2)11-5-4-6-12(9-11)20-13(21)19-8-7-14(15,16)17/h4-6,9-10,18H,3,7-8H2,1-2H3,(H2,19,20,21)
InChIKeyKPLCGELEAPKSDB-UHFFFAOYSA-N
XLogP3.43
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61339992
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea
CID 64524358
1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
CID 83017066
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839
1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea
CID 63995585
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61340529
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea
CID 63564699

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea (CID 63227876) is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea is CCNC(C)c1cccc(NC(=O)NCCC(F)(F)F)c1.
What is the InChIKey of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea?
The InChIKey is KPLCGELEAPKSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-3-18-10(2)11-5-4-6-12(9-11)20-13(21)19-8-7-14(15,16)17/h4-6,9-10,18H,3,7-8H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea?
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea has a molecular weight of 303.33 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 63227876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).