1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea

C16H17Cl2N3O — CID 66941489

IUPAC1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea
SMILESNCCc1cccc(NC(=O)NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c17-14-5-2-6-15(18)13(14)10-20-16(22)21-12-4-1-3-11(9-12)7-8-19/h1-6,9H,7-8,10,19H2,(H2,20,21,22)
InChIKeyGQEIALAROIPRAA-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.82
Rot. Bonds5

About 1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea

1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea (PubChem CID 66941489) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea
PubChem CID66941489
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea
SMILESNCCc1cccc(NC(=O)NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c17-14-5-2-6-15(18)13(14)10-20-16(22)21-12-4-1-3-11(9-12)7-8-19/h1-6,9H,7-8,10,19H2,(H2,20,21,22)
InChIKeyGQEIALAROIPRAA-UHFFFAOYSA-N
XLogP3.82
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-aminopropyl)phenyl]-3-benzylurea
CID 107654561
1-[3-(2-aminoethyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122453143
1,3-bis[[3-(2-aminoethyl)phenyl]methyl]urea
CID 159960728
1-[(2-chloro-6-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 3793083
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-[3-(3-aminopropyl)phenyl]-3-butylurea
CID 113397957
1-[3-(3-aminopropyl)phenyl]-3-methylurea
CID 89494810
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea
CID 106900402

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea?
The IUPAC name of 1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea (CID 66941489) is 1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea.
What is the SMILES notation for 1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea?
The canonical SMILES for 1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea is NCCc1cccc(NC(=O)NCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea?
The InChIKey is GQEIALAROIPRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c17-14-5-2-6-15(18)13(14)10-20-16(22)21-12-4-1-3-11(9-12)7-8-19/h1-6,9H,7-8,10,19H2,(H2,20,21,22).
What are the key properties of 1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea?
1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea has a molecular weight of 338.24 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea is sourced from PubChem (CID 66941489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).