1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea

C15H16FN3O2 — CID 104848502

IUPAC1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
SMILESCOc1cc(CN)ccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c1-21-14-8-10(9-17)2-7-13(14)19-15(20)18-12-5-3-11(16)4-6-12/h2-8H,9,17H2,1H3,(H2,18,19,20)
InChIKeyGGYFESNSGBJHRT-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.94
Rot. Bonds4

About 1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea

1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea (PubChem CID 104848502) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
PubChem CID104848502
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
SMILESCOc1cc(CN)ccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2/c1-21-14-8-10(9-17)2-7-13(14)19-15(20)18-12-5-3-11(16)4-6-12/h2-8H,9,17H2,1H3,(H2,18,19,20)
InChIKeyGGYFESNSGBJHRT-UHFFFAOYSA-N
XLogP2.94
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)-2-methoxyphenyl]-3-tert-butylurea
CID 113460330
1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea
CID 43133007
2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
CID 16774686
1-(5-acetyl-4-hydroxy-2-methoxyphenyl)-3-(4-fluorophenyl)urea
CID 162371292
1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
CID 62103048
3-[4-(aminomethyl)-2-methoxyphenyl]-1,1-diethylurea
CID 104848503
5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 63724738
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide
CID 107702112
1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea
CID 2252121

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea (CID 104848502) is 1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea is COc1cc(CN)ccc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea?
The InChIKey is GGYFESNSGBJHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-14-8-10(9-17)2-7-13(14)19-15(20)18-12-5-3-11(16)4-6-12/h2-8H,9,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea?
1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea has a molecular weight of 289.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 104848502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).