1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea

C17H21N3O — CID 61341644

IUPAC1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(C(C)N)c2)c(C)c1
InChIInChI=1S/C17H21N3O/c1-11-7-8-16(12(2)9-11)20-17(21)19-15-6-4-5-14(10-15)13(3)18/h4-10,13H,18H2,1-3H3,(H2,19,20,21)
InChIKeyWTQLPRMYNBDZCQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.97
Rot. Bonds3

About 1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea

1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea (PubChem CID 61341644) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
PubChem CID61341644
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(C(C)N)c2)c(C)c1
InChIInChI=1S/C17H21N3O/c1-11-7-8-16(12(2)9-11)20-17(21)19-15-6-4-5-14(10-15)13(3)18/h4-10,13H,18H2,1-3H3,(H2,19,20,21)
InChIKeyWTQLPRMYNBDZCQ-UHFFFAOYSA-N
XLogP3.97
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-(2-chloro-5-methylphenyl)urea
CID 107630153
1-[3-(1-aminoethyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 61342211
1-[3-(1-aminoethyl)phenyl]-3-(4-bromo-3-methylphenyl)urea
CID 61340907
1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea
CID 61340199
1-[3-(1-aminoethyl)phenyl]-3-(4-fluoro-2-iodophenyl)urea
CID 79762220
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341059
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea
CID 103481256
[3-[(2,4-dimethylphenyl)carbamoylamino]phenyl] acetate
CID 108865160

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea (CID 61341644) is 1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2cccc(C(C)N)c2)c(C)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea?
The InChIKey is WTQLPRMYNBDZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-7-8-16(12(2)9-11)20-17(21)19-15-6-4-5-14(10-15)13(3)18/h4-10,13H,18H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea?
1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea has a molecular weight of 283.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 61341644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).