1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea

C15H16FN3O — CID 43133007

IUPAC1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea
SMILESCc1ccc(F)cc1NC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H16FN3O/c1-10-2-5-12(16)8-14(10)19-15(20)18-13-6-3-11(9-17)4-7-13/h2-8H,9,17H2,1H3,(H2,18,19,20)
InChIKeyVEKNKCRUZGHLFW-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.24
Rot. Bonds3

About 1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea

1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea (PubChem CID 43133007) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea
PubChem CID43133007
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea
SMILESCc1ccc(F)cc1NC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H16FN3O/c1-10-2-5-12(16)8-14(10)19-15(20)18-13-6-3-11(9-17)4-7-13/h2-8H,9,17H2,1H3,(H2,18,19,20)
InChIKeyVEKNKCRUZGHLFW-UHFFFAOYSA-N
XLogP3.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277168
1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 104848502
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
1-[4-(aminomethyl)phenyl]-3-(3,4,5-trifluorophenyl)urea
CID 62811695
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
CID 62103048
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea (CID 43133007) is 1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea is Cc1ccc(F)cc1NC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea?
The InChIKey is VEKNKCRUZGHLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-2-5-12(16)8-14(10)19-15(20)18-13-6-3-11(9-17)4-7-13/h2-8H,9,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea?
1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea has a molecular weight of 273.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea is sourced from PubChem (CID 43133007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).