1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea

C11H16FN3O — CID 62665920

IUPAC1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea
SMILESCC(CN)CNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H16FN3O/c1-8(6-13)7-14-11(16)15-10-4-2-9(12)3-5-10/h2-5,8H,6-7,13H2,1H3,(H2,14,15,16)
InChIKeyKLUVCNPOBGMCGX-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.54
Rot. Bonds4

About 1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea

1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea (PubChem CID 62665920) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea
PubChem CID62665920
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea
SMILESCC(CN)CNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H16FN3O/c1-8(6-13)7-14-11(16)15-10-4-2-9(12)3-5-10/h2-5,8H,6-7,13H2,1H3,(H2,14,15,16)
InChIKeyKLUVCNPOBGMCGX-UHFFFAOYSA-N
XLogP1.54
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
N-(3-amino-2-methylpropyl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 119996739
1-(4-aminophenyl)-3-(2-methyl-3-methylsulfanylpropyl)urea
CID 63958742
1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63732530
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61355731
1-(4-amino-2-methylbutyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565179
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(4-fluorophenyl)urea
CID 113313693
1-[2-amino-3-(2,4,5-trifluorophenyl)propyl]-3-(4-fluorophenyl)urea
CID 142400489
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013
1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea (CID 62665920) is 1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea is CC(CN)CNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea?
The InChIKey is KLUVCNPOBGMCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8(6-13)7-14-11(16)15-10-4-2-9(12)3-5-10/h2-5,8H,6-7,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea?
1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea has a molecular weight of 225.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 62665920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).