1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea

C15H16IN3O — CID 108868945

IUPAC1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea
SMILESNCc1cccc(CNC(=O)Nc2ccccc2I)c1
InChIInChI=1S/C15H16IN3O/c16-13-6-1-2-7-14(13)19-15(20)18-10-12-5-3-4-11(8-12)9-17/h1-8H,9-10,17H2,(H2,18,19,20)
InChIKeyPNCSUANPRCVLHZ-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.07
Rot. Bonds4

About 1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea

1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea (PubChem CID 108868945) has the molecular formula C15H16IN3O and a molecular weight of 381.22 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea.

Molecular Properties

Compound Name1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea
PubChem CID108868945
Molecular FormulaC15H16IN3O
Molecular Weight381.22 g/mol
Exact Mass381.03
IUPAC Name1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea
SMILESNCc1cccc(CNC(=O)Nc2ccccc2I)c1
InChIInChI=1S/C15H16IN3O/c16-13-6-1-2-7-14(13)19-15(20)18-10-12-5-3-4-11(8-12)9-17/h1-8H,9-10,17H2,(H2,18,19,20)
InChIKeyPNCSUANPRCVLHZ-UHFFFAOYSA-N
XLogP3.07
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 47192993
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-iodophenyl)urea
CID 108868905
1-[[3-(aminomethyl)phenyl]methyl]-3-(cyanomethyl)urea
CID 108864734
1-[[3-(aminomethyl)phenyl]methyl]-3-(3-bromophenyl)urea
CID 108870136
1-[[3-(aminomethyl)phenyl]methyl]-3-tert-butylurea
CID 43589459
1-[[3-(aminomethyl)phenyl]methyl]-3-[(4-bromophenyl)methyl]urea
CID 108899439
1-(2-iodophenyl)-3-(3-phenylpropyl)urea
CID 47192907
1-[(3-iodophenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3868878
5-[[(2-iodophenyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090851
1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886726
1-(2-aminophenyl)-3-benzylurea
CID 86135193

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea?
The IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea (CID 108868945) is 1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea.
What is the SMILES notation for 1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea?
The canonical SMILES for 1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea is NCc1cccc(CNC(=O)Nc2ccccc2I)c1.
What is the InChIKey of 1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea?
The InChIKey is PNCSUANPRCVLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O/c16-13-6-1-2-7-14(13)19-15(20)18-10-12-5-3-4-11(8-12)9-17/h1-8H,9-10,17H2,(H2,18,19,20).
What are the key properties of 1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea?
1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea has a molecular weight of 381.22 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea is sourced from PubChem (CID 108868945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).