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

C10H16N4O — CID 83017155

IUPAC1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
SMILESCN(C)NC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C10H16N4O/c1-14(2)13-10(15)12-9-5-3-4-8(6-9)7-11/h3-6H,7,11H2,1-2H3,(H2,12,13,15)
InChIKeyJLKCLIQOWIDBIB-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.74
Rot. Bonds3

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

1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea (PubChem CID 83017155) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
PubChem CID83017155
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
SMILESCN(C)NC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C10H16N4O/c1-14(2)13-10(15)12-9-5-3-4-8(6-9)7-11/h3-6H,7,11H2,1-2H3,(H2,12,13,15)
InChIKeyJLKCLIQOWIDBIB-UHFFFAOYSA-N
XLogP0.74
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
1-[3-(aminomethyl)phenyl]-3-(2-methylbutan-2-yl)urea
CID 43133022
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 63254609
1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea
CID 106900402
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-[3-(aminomethyl)phenyl]-2-methylsulfanylacetamide
CID 63254431

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea (CID 83017155) is 1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea is CN(C)NC(=O)Nc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea?
The InChIKey is JLKCLIQOWIDBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14(2)13-10(15)12-9-5-3-4-8(6-9)7-11/h3-6H,7,11H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea?
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea has a molecular weight of 208.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea is sourced from PubChem (CID 83017155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).