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

C10H16N4O — CID 59608955

IUPAC1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea
SMILESCNc1ccc(NC(=O)NCCN)cc1
InChIInChI=1S/C10H16N4O/c1-12-8-2-4-9(5-3-8)14-10(15)13-7-6-11/h2-5,12H,6-7,11H2,1H3,(H2,13,14,15)
InChIKeyXJKYSVUDNHZURR-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.81
Rot. Bonds4

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

1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea (PubChem CID 59608955) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea
PubChem CID59608955
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea
SMILESCNc1ccc(NC(=O)NCCN)cc1
InChIInChI=1S/C10H16N4O/c1-12-8-2-4-9(5-3-8)14-10(15)13-7-6-11/h2-5,12H,6-7,11H2,1H3,(H2,13,14,15)
InChIKeyXJKYSVUDNHZURR-UHFFFAOYSA-N
XLogP0.81
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-3-pyridin-4-ylurea
CID 82503728
1-(4-aminobutyl)-3-(4-methylphenyl)urea;hydrochloride
CID 163284843
1-(2-aminoethyl)-3-(6-fluoro-3-pyridinyl)urea
CID 69252499
1-(2-aminoethyl)-3-(3-chloro-4-hydroxyphenyl)urea
CID 66653179
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
4-(2-aminoethylcarbamoylamino)-2-fluorobenzoic acid
CID 107796038
1-[4-(2-aminoethoxy)phenyl]-3-propylurea
CID 43175658
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
1-[4-(aminomethyl)phenyl]-3-(3-methylbutyl)urea
CID 43132978
1-(4-aminophenyl)-3-butylurea
CID 28785616
1-[4-(dimethylamino)butyl]-3-[4-[[4-[4-(dimethylamino)butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139956196

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea?
The IUPAC name of 1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea (CID 59608955) is 1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea?
The canonical SMILES for 1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea is CNc1ccc(NC(=O)NCCN)cc1.
What is the InChIKey of 1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea?
The InChIKey is XJKYSVUDNHZURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-12-8-2-4-9(5-3-8)14-10(15)13-7-6-11/h2-5,12H,6-7,11H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea?
1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea has a molecular weight of 208.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-[4-(methylamino)phenyl]urea is sourced from PubChem (CID 59608955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).