1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea

C11H17N3O — CID 61350070

IUPAC1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N(C)CCN)c1
InChIInChI=1S/C11H17N3O/c1-9-4-3-5-10(8-9)13-11(15)14(2)7-6-12/h3-5,8H,6-7,12H2,1-2H3,(H,13,15)
InChIKeyCHUPJWUNCPSQJK-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.42
Rot. Bonds3

About 1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea

1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea (PubChem CID 61350070) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
PubChem CID61350070
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N(C)CCN)c1
InChIInChI=1S/C11H17N3O/c1-9-4-3-5-10(8-9)13-11(15)14(2)7-6-12/h3-5,8H,6-7,12H2,1-2H3,(H,13,15)
InChIKeyCHUPJWUNCPSQJK-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromopropyl)-1-methyl-3-(3-methylphenyl)urea
CID 106441564
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
CID 61348548
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949
N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
CID 108887986
1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea
CID 43137073
ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
CID 47406124
1-(4-aminobutan-2-yl)-1-methyl-3-(3-methylphenyl)urea
CID 55174910
1-(2-amino-2-hydroxyiminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 76929111
1-[(4-chlorophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868392
1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 43458533
tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate
CID 108888023

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea?
The IUPAC name of 1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea (CID 61350070) is 1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)N(C)CCN)c1.
What is the InChIKey of 1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea?
The InChIKey is CHUPJWUNCPSQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-4-3-5-10(8-9)13-11(15)14(2)7-6-12/h3-5,8H,6-7,12H2,1-2H3,(H,13,15).
What are the key properties of 1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea?
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea has a molecular weight of 207.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea is sourced from PubChem (CID 61350070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).