1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea

C10H14BrN3O — CID 117235648

IUPAC1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea
SMILESNCCNC(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C10H14BrN3O/c11-9-3-1-8(2-4-9)7-14-10(15)13-6-5-12/h1-4H,5-7,12H2,(H2,13,14,15)
InChIKeyGIBKNOYPCVHFTR-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.21
Rot. Bonds4

About 1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea

1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea (PubChem CID 117235648) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea
PubChem CID117235648
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea
SMILESNCCNC(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C10H14BrN3O/c11-9-3-1-8(2-4-9)7-14-10(15)13-6-5-12/h1-4H,5-7,12H2,(H2,13,14,15)
InChIKeyGIBKNOYPCVHFTR-UHFFFAOYSA-N
XLogP1.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(5-hydroxypentyl)urea
CID 108899482
1-[[3-(aminomethyl)phenyl]methyl]-3-[(4-bromophenyl)methyl]urea
CID 108899439
N-[3-[(4-bromophenyl)methylcarbamoylamino]propyl]formamide
CID 108899505
4-[(4-bromophenyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107838243
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 108902320
1-[(4-bromophenyl)methyl]-3-(2-oxopropyl)urea
CID 117235576
1-[(4-bromophenyl)methyl]-3-(3-hydroxypentyl)urea
CID 75382274
1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea
CID 108899597
1-[2-(4-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884614
1-[(4-bromophenyl)methyl]-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108875097
1-[(4-bromophenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618834
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea?
The IUPAC name of 1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea (CID 117235648) is 1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea?
The canonical SMILES for 1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea is NCCNC(=O)NCc1ccc(Br)cc1.
What is the InChIKey of 1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea?
The InChIKey is GIBKNOYPCVHFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-9-3-1-8(2-4-9)7-14-10(15)13-6-5-12/h1-4H,5-7,12H2,(H2,13,14,15).
What are the key properties of 1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea?
1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea has a molecular weight of 272.15 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea is sourced from PubChem (CID 117235648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).