1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea

C15H16FN3O — CID 62316078

IUPAC1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(F)c(CN)c2)c1
InChIInChI=1S/C15H16FN3O/c1-10-3-2-4-12(7-10)18-15(20)19-13-5-6-14(16)11(8-13)9-17/h2-8H,9,17H2,1H3,(H2,18,19,20)
InChIKeyHSAMKDJGRIGGQQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.24
Rot. Bonds3

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

1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea (PubChem CID 62316078) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
PubChem CID62316078
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(F)c(CN)c2)c1
InChIInChI=1S/C15H16FN3O/c1-10-3-2-4-12(7-10)18-15(20)19-13-5-6-14(16)11(8-13)9-17/h2-8H,9,17H2,1H3,(H2,18,19,20)
InChIKeyHSAMKDJGRIGGQQ-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

N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide
CID 62537171
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide
CID 62317484
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-(3-methylphenyl)urea
CID 104593006
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea (CID 62316078) is 1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(F)c(CN)c2)c1.
What is the InChIKey of 1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea?
The InChIKey is HSAMKDJGRIGGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-3-2-4-12(7-10)18-15(20)19-13-5-6-14(16)11(8-13)9-17/h2-8H,9,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea?
1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-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-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 62316078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).