1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea

C14H21N3O — CID 62700033

IUPAC1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1N)C(=O)NC1CC1
InChIInChI=1S/C14H21N3O/c1-10(2)17(14(18)16-12-7-8-12)9-11-5-3-4-6-13(11)15/h3-6,10,12H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyMNQJWEJLUBBRNS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.35
Rot. Bonds4

About 1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea

1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea (PubChem CID 62700033) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
PubChem CID62700033
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1N)C(=O)NC1CC1
InChIInChI=1S/C14H21N3O/c1-10(2)17(14(18)16-12-7-8-12)9-11-5-3-4-6-13(11)15/h3-6,10,12H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyMNQJWEJLUBBRNS-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700032
1-[(2-aminophenyl)methyl]-3-cyclobutyl-1-ethylurea
CID 116653604
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide
CID 81324279
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(thian-4-yl)acetamide
CID 83136533
N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
CID 63833559
N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
CID 43460393
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-methylacetamide
CID 43460418
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide
CID 61488701
1-[(2-aminophenyl)methylsulfonyl]-3-cyclopropylurea
CID 116646414

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea?
The IUPAC name of 1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea (CID 62700033) is 1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea.
What is the SMILES notation for 1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea?
The canonical SMILES for 1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea is CC(C)N(Cc1ccccc1N)C(=O)NC1CC1.
What is the InChIKey of 1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea?
The InChIKey is MNQJWEJLUBBRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)17(14(18)16-12-7-8-12)9-11-5-3-4-6-13(11)15/h3-6,10,12H,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of 1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea?
1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea has a molecular weight of 247.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea is sourced from PubChem (CID 62700033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).