(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone

C13H17NO2 — CID 82152488

IUPAC(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone
SMILESCC(C)Oc1ccc(C(=O)C2CC2)cc1N
InChIInChI=1S/C13H17NO2/c1-8(2)16-12-6-5-10(7-11(12)14)13(15)9-3-4-9/h5-9H,3-4,14H2,1-2H3
InChIKeyKYNZORMIPAZEEV-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.65
Rot. Bonds4

About (3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone

(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone (PubChem CID 82152488) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone
PubChem CID82152488
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone
SMILESCC(C)Oc1ccc(C(=O)C2CC2)cc1N
InChIInChI=1S/C13H17NO2/c1-8(2)16-12-6-5-10(7-11(12)14)13(15)9-3-4-9/h5-9H,3-4,14H2,1-2H3
InChIKeyKYNZORMIPAZEEV-UHFFFAOYSA-N
XLogP2.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472
1-(3-amino-4-propan-2-yloxyphenyl)-2,2-dimethylpropan-1-one
CID 82152486
methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
CID 171933184
3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide
CID 43912271
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
ethyl 3-(3-amino-4-propan-2-yloxyphenyl)-3-oxopropanoate
CID 82201633
2,5-di(propan-2-yloxy)aniline
CID 18997718
(3-amino-4-propoxyphenyl)-(4-butylcyclohexyl)methanone
CID 94759005
(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
CID 82152491
3-amino-4-propan-2-yloxybenzenethiol
CID 155017605
3-amino-4-[1-(1-methylpiperidin-2-yl)ethoxy]benzoic acid
CID 117095889

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone?
The IUPAC name of (3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone (CID 82152488) is (3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone.
What is the SMILES notation for (3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone?
The canonical SMILES for (3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone is CC(C)Oc1ccc(C(=O)C2CC2)cc1N.
What is the InChIKey of (3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone?
The InChIKey is KYNZORMIPAZEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8(2)16-12-6-5-10(7-11(12)14)13(15)9-3-4-9/h5-9H,3-4,14H2,1-2H3.
What are the key properties of (3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone?
(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone has a molecular weight of 219.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone is sourced from PubChem (CID 82152488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).