1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea

C11H17N3O2 — CID 82080459

IUPAC1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCCN
InChIInChI=1S/C11H17N3O2/c1-8-3-4-10(16-2)9(7-8)14-11(15)13-6-5-12/h3-4,7H,5-6,12H2,1-2H3,(H2,13,14,15)
InChIKeyDJQRIRAXTUKOCI-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.08
Rot. Bonds4

About 1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea

1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 82080459) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
PubChem CID82080459
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCCN
InChIInChI=1S/C11H17N3O2/c1-8-3-4-10(16-2)9(7-8)14-11(15)13-6-5-12/h3-4,7H,5-6,12H2,1-2H3,(H2,13,14,15)
InChIKeyDJQRIRAXTUKOCI-UHFFFAOYSA-N
XLogP1.08
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
4-methoxy-N-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]benzamide
CID 51118545
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 112971232
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219817

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea (CID 82080459) is 1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NCCN.
What is the InChIKey of 1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is DJQRIRAXTUKOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-3-4-10(16-2)9(7-8)14-11(15)13-6-5-12/h3-4,7H,5-6,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea?
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 223.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 82080459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).