1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea

C19H24ClN3O — CID 118259622

IUPAC1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea
SMILESCc1cc(NC(=O)NC(C)(C)c2cccc(C(C)N)c2)ccc1Cl
InChIInChI=1S/C19H24ClN3O/c1-12-10-16(8-9-17(12)20)22-18(24)23-19(3,4)15-7-5-6-14(11-15)13(2)21/h5-11,13H,21H2,1-4H3,(H2,22,23,24)
InChIKeyABPLXIBEIXPAAK-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.72
Rot. Bonds4

About 1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea

1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea (PubChem CID 118259622) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea
PubChem CID118259622
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea
SMILESCc1cc(NC(=O)NC(C)(C)c2cccc(C(C)N)c2)ccc1Cl
InChIInChI=1S/C19H24ClN3O/c1-12-10-16(8-9-17(12)20)22-18(24)23-19(3,4)15-7-5-6-14(11-15)13(2)21/h5-11,13H,21H2,1-4H3,(H2,22,23,24)
InChIKeyABPLXIBEIXPAAK-UHFFFAOYSA-N
XLogP4.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea
CID 70850941
1-[2-(3-acetylphenyl)propan-2-yl]-3-(3-amino-4-chlorophenyl)urea
CID 90063329
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
1-[3-(1-aminoethyl)phenyl]-3-(4-bromo-3-methylphenyl)urea
CID 61340907
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 61340020
1-[3-(1-aminoethyl)phenyl]-3-(2-chloro-5-methylphenyl)urea
CID 107630153
1-[4-[(2S)-butan-2-yl]phenyl]-3-[2-[3-[2-[[4-[(2R)-butan-2-yl]phenyl]carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27235829
1-(3,4-dimethylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 118001195
2-chloro-N,N-di(propan-2-yl)-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
CID 73296950
1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216506
1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[2-[3-(1-sulfanylpropan-2-yl)phenyl]propan-2-yl]urea
CID 89030320
1-(4-chloro-3-methylphenyl)-3-[2-[3-[(E)-C-methyl-N-(2-morpholin-4-ylethoxy)carbonimidoyl]phenyl]propan-2-yl]urea
CID 118259596

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea?
The IUPAC name of 1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea (CID 118259622) is 1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea.
What is the SMILES notation for 1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea?
The canonical SMILES for 1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea is Cc1cc(NC(=O)NC(C)(C)c2cccc(C(C)N)c2)ccc1Cl.
What is the InChIKey of 1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea?
The InChIKey is ABPLXIBEIXPAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-12-10-16(8-9-17(12)20)22-18(24)23-19(3,4)15-7-5-6-14(11-15)13(2)21/h5-11,13H,21H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea?
1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea has a molecular weight of 345.87 g/mol, XLogP of 4.72, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-aminoethyl)phenyl]propan-2-yl]-3-(4-chloro-3-methylphenyl)urea is sourced from PubChem (CID 118259622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).