3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea

C15H23N3O — CID 63939898

IUPAC3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea
SMILESCCN(CC1CC1)C(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C15H23N3O/c1-3-18(10-12-7-8-12)15(19)17-14-6-4-5-13(9-14)11(2)16/h4-6,9,11-12H,3,7-8,10,16H2,1-2H3,(H,17,19)
InChIKeyHHULMZWMERZGSW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.97
Rot. Bonds5

About 3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea

3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea (PubChem CID 63939898) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea
PubChem CID63939898
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea
SMILESCCN(CC1CC1)C(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C15H23N3O/c1-3-18(10-12-7-8-12)15(19)17-14-6-4-5-13(9-14)11(2)16/h4-6,9,11-12H,3,7-8,10,16H2,1-2H3,(H,17,19)
InChIKeyHHULMZWMERZGSW-UHFFFAOYSA-N
XLogP2.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(1-aminoethyl)phenyl]-1-(cyclobutylmethyl)-1-ethylurea
CID 107400737
3-[3-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438322
1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 64521431
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
CID 61418847
3-[3-(1-aminoethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
CID 102869480
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea
CID 61342222
3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 61341691
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(3-methylbutan-2-yl)urea
CID 61339685
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
1-ethyl-1-(2-ethylbutyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61438276
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea?
The IUPAC name of 3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea (CID 63939898) is 3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea.
What is the SMILES notation for 3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea?
The canonical SMILES for 3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea is CCN(CC1CC1)C(=O)Nc1cccc(C(C)N)c1.
What is the InChIKey of 3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea?
The InChIKey is HHULMZWMERZGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18(10-12-7-8-12)15(19)17-14-6-4-5-13(9-14)11(2)16/h4-6,9,11-12H,3,7-8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea?
3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea has a molecular weight of 261.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)phenyl]-1-(cyclopropylmethyl)-1-ethylurea is sourced from PubChem (CID 63939898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).