1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea

C11H17N3O — CID 82507372

IUPAC1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(CN)cc1C
InChIInChI=1S/C11H17N3O/c1-3-13-11(15)14-10-5-4-9(7-12)6-8(10)2/h4-6H,3,7,12H2,1-2H3,(H2,13,14,15)
InChIKeyOPPVSAFXWGIPSC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.60
Rot. Bonds3

About 1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea

1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea (PubChem CID 82507372) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea
PubChem CID82507372
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(CN)cc1C
InChIInChI=1S/C11H17N3O/c1-3-13-11(15)14-10-5-4-9(7-12)6-8(10)2/h4-6H,3,7,12H2,1-2H3,(H2,13,14,15)
InChIKeyOPPVSAFXWGIPSC-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea?
The IUPAC name of 1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea (CID 82507372) is 1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea.
What is the SMILES notation for 1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea?
The canonical SMILES for 1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea is CCNC(=O)Nc1ccc(CN)cc1C.
What is the InChIKey of 1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea?
The InChIKey is OPPVSAFXWGIPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-13-11(15)14-10-5-4-9(7-12)6-8(10)2/h4-6H,3,7,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea?
1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea has a molecular weight of 207.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea is sourced from PubChem (CID 82507372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).