1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea

C16H20N4O — CID 43617199

IUPAC1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2ccc(CN)cc2)cc1
InChIInChI=1S/C16H20N4O/c1-20(2)15-9-7-14(8-10-15)19-16(21)18-13-5-3-12(11-17)4-6-13/h3-10H,11,17H2,1-2H3,(H2,18,19,21)
InChIKeyHINAGCDYDXFWKJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea

1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea (PubChem CID 43617199) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
PubChem CID43617199
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2ccc(CN)cc2)cc1
InChIInChI=1S/C16H20N4O/c1-20(2)15-9-7-14(8-10-15)19-16(21)18-13-5-3-12(11-17)4-6-13/h3-10H,11,17H2,1-2H3,(H2,18,19,21)
InChIKeyHINAGCDYDXFWKJ-UHFFFAOYSA-N
XLogP2.86
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894872
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
4-[[[4-(dimethylamino)phenyl]carbamoylamino]methyl]benzoic acid
CID 108894779
1-[4-(dimethylamino)phenyl]-3-ethenylurea
CID 108909228
1-[4-(aminomethyl)phenyl]-3-(3,4,5-trifluorophenyl)urea
CID 62811695
N-[2-[[4-(dimethylamino)phenyl]carbamoylamino]ethyl]acetamide
CID 47192652

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea (CID 43617199) is 1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea is CN(C)c1ccc(NC(=O)Nc2ccc(CN)cc2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea?
The InChIKey is HINAGCDYDXFWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(2)15-9-7-14(8-10-15)19-16(21)18-13-5-3-12(11-17)4-6-13/h3-10H,11,17H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea?
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea has a molecular weight of 284.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea is sourced from PubChem (CID 43617199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).