1-(3-amino-2-methylphenyl)-3-ethylurea

C10H15N3O — CID 43164799

IUPAC1-(3-amino-2-methylphenyl)-3-ethylurea
SMILESCCNC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C10H15N3O/c1-3-12-10(14)13-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H2,12,13,14)
InChIKeySLPGLTNWXHJIFT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.72
Rot. Bonds2

About 1-(3-amino-2-methylphenyl)-3-ethylurea

1-(3-amino-2-methylphenyl)-3-ethylurea (PubChem CID 43164799) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(3-amino-2-methylphenyl)-3-ethylurea.

Molecular Properties

Compound Name1-(3-amino-2-methylphenyl)-3-ethylurea
PubChem CID43164799
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(3-amino-2-methylphenyl)-3-ethylurea
SMILESCCNC(=O)Nc1cccc(N)c1C
InChIInChI=1S/C10H15N3O/c1-3-12-10(14)13-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H2,12,13,14)
InChIKeySLPGLTNWXHJIFT-UHFFFAOYSA-N
XLogP1.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 63077987
(3-amino-2-methylphenyl)urea
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N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N-(3-amino-2-methylphenyl)-2-[butan-2-yl(methyl)amino]propanamide
CID 43272512
N-(3-amino-2-methylphenyl)-3-methylbut-2-enamide
CID 83505608
N-(3-amino-2-methylphenyl)-4-propoxybutanamide
CID 43247848
1-(2-cyano-3-methylphenyl)-3-ethylurea
CID 103710079
N-[2-(ethylcarbamoylamino)-6-methylphenyl]-2-methylpropanamide
CID 46949700
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751663
ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate
CID 47068847

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylphenyl)-3-ethylurea?
The IUPAC name of 1-(3-amino-2-methylphenyl)-3-ethylurea (CID 43164799) is 1-(3-amino-2-methylphenyl)-3-ethylurea.
What is the SMILES notation for 1-(3-amino-2-methylphenyl)-3-ethylurea?
The canonical SMILES for 1-(3-amino-2-methylphenyl)-3-ethylurea is CCNC(=O)Nc1cccc(N)c1C.
What is the InChIKey of 1-(3-amino-2-methylphenyl)-3-ethylurea?
The InChIKey is SLPGLTNWXHJIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-12-10(14)13-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(3-amino-2-methylphenyl)-3-ethylurea?
1-(3-amino-2-methylphenyl)-3-ethylurea has a molecular weight of 193.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylphenyl)-3-ethylurea is sourced from PubChem (CID 43164799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).