1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea

C12H19N3O — CID 43208686

IUPAC1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C12H19N3O/c1-8(2)14-12(16)15-11-6-4-10(5-7-11)9(3)13/h4-9H,13H2,1-3H3,(H2,14,15,16)
InChIKeyVYDLFETZHKKKDO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.24
Rot. Bonds3

About 1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea

1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea (PubChem CID 43208686) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
PubChem CID43208686
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C12H19N3O/c1-8(2)14-12(16)15-11-6-4-10(5-7-11)9(3)13/h4-9H,13H2,1-3H3,(H2,14,15,16)
InChIKeyVYDLFETZHKKKDO-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea (CID 43208686) is 1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(C(C)N)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea?
The InChIKey is VYDLFETZHKKKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)14-12(16)15-11-6-4-10(5-7-11)9(3)13/h4-9H,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea?
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea has a molecular weight of 221.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 43208686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).