1-(2-amino-5-methylphenyl)-3-propylurea

C11H17N3O — CID 112557559

IUPAC1-(2-amino-5-methylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C11H17N3O/c1-3-6-13-11(15)14-10-7-8(2)4-5-9(10)12/h4-5,7H,3,6,12H2,1-2H3,(H2,13,14,15)
InChIKeyGMRDAOYIFZKPRK-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.11
Rot. Bonds3

About 1-(2-amino-5-methylphenyl)-3-propylurea

1-(2-amino-5-methylphenyl)-3-propylurea (PubChem CID 112557559) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-3-propylurea
PubChem CID112557559
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(2-amino-5-methylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C11H17N3O/c1-3-6-13-11(15)14-10-7-8(2)4-5-9(10)12/h4-5,7H,3,6,12H2,1-2H3,(H2,13,14,15)
InChIKeyGMRDAOYIFZKPRK-UHFFFAOYSA-N
XLogP2.11
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.11
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

1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901077
4-methyl-2-N-propylbenzene-1,2-diamine
CID 58056820
1-(2-amino-5-methylphenyl)-3-propan-2-ylurea
CID 112557564
1-(3-amino-2,6-dimethylphenyl)-3-propylurea
CID 28785713
1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
CID 108897070
N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897439
1-(2-amino-4-methoxyphenyl)-3-propylurea
CID 28785607
2-[(2,5-dimethylphenyl)carbamoylamino]-N-propylpropanamide
CID 47133143
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342
1-(4-amino-3-bromophenyl)-3-propylurea
CID 82861515
1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea
CID 60815059

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-3-propylurea?
The IUPAC name of 1-(2-amino-5-methylphenyl)-3-propylurea (CID 112557559) is 1-(2-amino-5-methylphenyl)-3-propylurea.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-3-propylurea?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-3-propylurea is CCCNC(=O)Nc1cc(C)ccc1N.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-3-propylurea?
The InChIKey is GMRDAOYIFZKPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-6-13-11(15)14-10-7-8(2)4-5-9(10)12/h4-5,7H,3,6,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-amino-5-methylphenyl)-3-propylurea?
1-(2-amino-5-methylphenyl)-3-propylurea has a molecular weight of 207.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-3-propylurea is sourced from PubChem (CID 112557559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).