3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea

C11H17N3O — CID 40601139

IUPAC3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea
SMILESC[C@@H](NC(=O)N(C)C)c1ccccc1N
InChIInChI=1S/C11H17N3O/c1-8(13-11(15)14(2)3)9-6-4-5-7-10(9)12/h4-8H,12H2,1-3H3,(H,13,15)/t8-/m1/s1
InChIKeyNOEJNTLXSKCASY-MRVPVSSYSA-N
MW207.28 g/mol
LogP1.60
Rot. Bonds2

About 3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea

3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea (PubChem CID 40601139) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea
PubChem CID40601139
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea
SMILESC[C@@H](NC(=O)N(C)C)c1ccccc1N
InChIInChI=1S/C11H17N3O/c1-8(13-11(15)14(2)3)9-6-4-5-7-10(9)12/h4-8H,12H2,1-3H3,(H,13,15)/t8-/m1/s1
InChIKeyNOEJNTLXSKCASY-MRVPVSSYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
3-[(1R)-1-[2-[[2-[(1R)-1-(dimethylcarbamoylamino)ethyl]phenyl]diselanyl]phenyl]ethyl]-1,1-dimethylurea
CID 10098789
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
N-[1-(2-aminophenyl)ethyl]-4-hydroxybenzamide
CID 43297837
N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 43297869
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
CID 62699291
N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide
CID 43297876
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43297842
1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
CID 43437708
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 43298111
N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide
CID 43297835

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea (CID 40601139) is 3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea is C[C@@H](NC(=O)N(C)C)c1ccccc1N.
What is the InChIKey of 3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea?
The InChIKey is NOEJNTLXSKCASY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(13-11(15)14(2)3)9-6-4-5-7-10(9)12/h4-8H,12H2,1-3H3,(H,13,15)/t8-/m1/s1.
What are the key properties of 3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea?
3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea has a molecular weight of 207.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 40601139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).