3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea

C14H23N3O — CID 61342222

IUPAC3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea
SMILESCC(C)CN(C)C(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C14H23N3O/c1-10(2)9-17(4)14(18)16-13-7-5-6-12(8-13)11(3)15/h5-8,10-11H,9,15H2,1-4H3,(H,16,18)
InChIKeyLAJISKMIOBMURQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.83
Rot. Bonds4

About 3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea

3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea (PubChem CID 61342222) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea
PubChem CID61342222
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea
SMILESCC(C)CN(C)C(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C14H23N3O/c1-10(2)9-17(4)14(18)16-13-7-5-6-12(8-13)11(3)15/h5-8,10-11H,9,15H2,1-4H3,(H,16,18)
InChIKeyLAJISKMIOBMURQ-UHFFFAOYSA-N
XLogP2.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 61341691
3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47364374
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(3-methylbutan-2-yl)urea
CID 61339685
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 61340772
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
CID 61418847
1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(2-methylbutyl)urea
CID 61339498
1-[3-(1-aminoethyl)phenyl]-3-(6-methylheptan-2-yl)urea
CID 61471630
1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea
CID 61341307
3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea
CID 63939898
3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 106916934
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea?
The IUPAC name of 3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea (CID 61342222) is 3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea.
What is the SMILES notation for 3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea?
The canonical SMILES for 3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea is CC(C)CN(C)C(=O)Nc1cccc(C(C)N)c1.
What is the InChIKey of 3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea?
The InChIKey is LAJISKMIOBMURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)9-17(4)14(18)16-13-7-5-6-12(8-13)11(3)15/h5-8,10-11H,9,15H2,1-4H3,(H,16,18).
What are the key properties of 3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea?
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea has a molecular weight of 249.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea is sourced from PubChem (CID 61342222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).