1-[4-(2-aminoethoxy)phenyl]-3-propylurea

C12H19N3O2 — CID 43175658

IUPAC1-[4-(2-aminoethoxy)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(OCCN)cc1
InChIInChI=1S/C12H19N3O2/c1-2-8-14-12(16)15-10-3-5-11(6-4-10)17-9-7-13/h3-6H,2,7-9,13H2,1H3,(H2,14,15,16)
InChIKeyTWWLMTXFVYKVOS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.56
Rot. Bonds6

About 1-[4-(2-aminoethoxy)phenyl]-3-propylurea

1-[4-(2-aminoethoxy)phenyl]-3-propylurea (PubChem CID 43175658) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[4-(2-aminoethoxy)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)phenyl]-3-propylurea
PubChem CID43175658
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[4-(2-aminoethoxy)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(OCCN)cc1
InChIInChI=1S/C12H19N3O2/c1-2-8-14-12(16)15-10-3-5-11(6-4-10)17-9-7-13/h3-6H,2,7-9,13H2,1H3,(H2,14,15,16)
InChIKeyTWWLMTXFVYKVOS-UHFFFAOYSA-N
XLogP1.56
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
CID 47202619
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
1-(4-butoxyphenyl)-3-(3-hydroxy-4,4-dimethylpentyl)urea
CID 90523657
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972120
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)phenyl]-3-propylurea?
The IUPAC name of 1-[4-(2-aminoethoxy)phenyl]-3-propylurea (CID 43175658) is 1-[4-(2-aminoethoxy)phenyl]-3-propylurea.
What is the SMILES notation for 1-[4-(2-aminoethoxy)phenyl]-3-propylurea?
The canonical SMILES for 1-[4-(2-aminoethoxy)phenyl]-3-propylurea is CCCNC(=O)Nc1ccc(OCCN)cc1.
What is the InChIKey of 1-[4-(2-aminoethoxy)phenyl]-3-propylurea?
The InChIKey is TWWLMTXFVYKVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-8-14-12(16)15-10-3-5-11(6-4-10)17-9-7-13/h3-6H,2,7-9,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-[4-(2-aminoethoxy)phenyl]-3-propylurea?
1-[4-(2-aminoethoxy)phenyl]-3-propylurea has a molecular weight of 237.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethoxy)phenyl]-3-propylurea is sourced from PubChem (CID 43175658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).