1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea

C15H15F2N3O — CID 62970793

IUPAC1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccc(F)cc1F)c1cccc(CN)c1
InChIInChI=1S/C15H15F2N3O/c1-20(12-4-2-3-10(7-12)9-18)15(21)19-14-6-5-11(16)8-13(14)17/h2-8H,9,18H2,1H3,(H,19,21)
InChIKeyRHTDFYGFENVYOZ-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.09
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea

1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea (PubChem CID 62970793) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea
PubChem CID62970793
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccc(F)cc1F)c1cccc(CN)c1
InChIInChI=1S/C15H15F2N3O/c1-20(12-4-2-3-10(7-12)9-18)15(21)19-14-6-5-11(16)8-13(14)17/h2-8H,9,18H2,1H3,(H,19,21)
InChIKeyRHTDFYGFENVYOZ-UHFFFAOYSA-N
XLogP3.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-3-(2,4-difluorophenyl)-1-methylurea
CID 43288470
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
1-(3-amino-2-methylpropyl)-3-(2,4-difluorophenyl)-1-methylurea
CID 54992200
N-[3-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209459
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea
CID 43288499
N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108528497
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
1-[3-(aminomethyl)phenyl]-1-fluorourea
CID 174941242
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881845
(2S)-2-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]-N-hydroxy-3-methylbutanamide
CID 10833427

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea (CID 62970793) is 1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea is CN(C(=O)Nc1ccc(F)cc1F)c1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea?
The InChIKey is RHTDFYGFENVYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-20(12-4-2-3-10(7-12)9-18)15(21)19-14-6-5-11(16)8-13(14)17/h2-8H,9,18H2,1H3,(H,19,21).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea?
1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea has a molecular weight of 291.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylurea is sourced from PubChem (CID 62970793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).