1-[3-(1-aminoethyl)phenyl]-3-propylurea

C12H19N3O — CID 43210542

IUPAC1-[3-(1-aminoethyl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C12H19N3O/c1-3-7-14-12(16)15-11-6-4-5-10(8-11)9(2)13/h4-6,8-9H,3,7,13H2,1-2H3,(H2,14,15,16)
InChIKeyIJSUZXADLMORLY-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.24
Rot. Bonds4

About 1-[3-(1-aminoethyl)phenyl]-3-propylurea

1-[3-(1-aminoethyl)phenyl]-3-propylurea (PubChem CID 43210542) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-propylurea
PubChem CID43210542
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C12H19N3O/c1-3-7-14-12(16)15-11-6-4-5-10(8-11)9(2)13/h4-6,8-9H,3,7,13H2,1-2H3,(H2,14,15,16)
InChIKeyIJSUZXADLMORLY-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate
CID 61341694
1-[3-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340525
2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide
CID 61341683
1-[3-(1-aminoethyl)phenyl]-3-(2,3,3-trimethylbutyl)urea
CID 83147014
1-[3-(1-aminoethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106014699
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
1-[3-(1-aminoethyl)phenyl]-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 106407545
1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea
CID 61341307
1-[3-(1-aminoethyl)phenyl]-3-(6-methylheptan-2-yl)urea
CID 61471630
1-[3-(1-aminoethyl)phenyl]-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64524162
1-[3-(1-aminoethyl)phenyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 63309337

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-propylurea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-propylurea (CID 43210542) is 1-[3-(1-aminoethyl)phenyl]-3-propylurea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-propylurea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-propylurea is CCCNC(=O)Nc1cccc(C(C)N)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-propylurea?
The InChIKey is IJSUZXADLMORLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-7-14-12(16)15-11-6-4-5-10(8-11)9(2)13/h4-6,8-9H,3,7,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-propylurea?
1-[3-(1-aminoethyl)phenyl]-3-propylurea has a molecular weight of 221.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-propylurea is sourced from PubChem (CID 43210542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).