3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea

C12H20N4O — CID 63701302

IUPAC3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea
SMILESCN(C)CCN(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H20N4O/c1-15(2)7-8-16(3)12(17)14-11-6-4-5-10(13)9-11/h4-6,9H,7-8,13H2,1-3H3,(H,14,17)
InChIKeyIFKISGJYFYCRTD-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.29
Rot. Bonds4

About 3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea

3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea (PubChem CID 63701302) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea
PubChem CID63701302
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea
SMILESCN(C)CCN(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H20N4O/c1-15(2)7-8-16(3)12(17)14-11-6-4-5-10(13)9-11/h4-6,9H,7-8,13H2,1-3H3,(H,14,17)
InChIKeyIFKISGJYFYCRTD-UHFFFAOYSA-N
XLogP1.29
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-1-methyl-1-(2-methylsulfonylethyl)urea
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3-(3-aminophenyl)-1-(2-cyanopropyl)-1-methylurea
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3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
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1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
3-(3-aminophenyl)-1-[(5-bromothiophen-3-yl)methyl]-1-methylurea
CID 54986825
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
3-(3-aminophenyl)-1-methyl-1-(oxolan-3-yl)urea
CID 82739651
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide
CID 102991480
N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
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1-butyl-1-methyl-3-(3-methylphenyl)urea
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CID 106441564

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea?
The IUPAC name of 3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea (CID 63701302) is 3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea.
What is the SMILES notation for 3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea?
The canonical SMILES for 3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea is CN(C)CCN(C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea?
The InChIKey is IFKISGJYFYCRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(2)7-8-16(3)12(17)14-11-6-4-5-10(13)9-11/h4-6,9H,7-8,13H2,1-3H3,(H,14,17).
What are the key properties of 3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea?
3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea has a molecular weight of 236.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea is sourced from PubChem (CID 63701302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).