(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone

C16H15NO2 — CID 90086550

IUPAC(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone
SMILESNc1c(OC2CC2)cccc1C(=O)c1ccccc1
InChIInChI=1S/C16H15NO2/c17-15-13(16(18)11-5-2-1-3-6-11)7-4-8-14(15)19-12-9-10-12/h1-8,12H,9-10,17H2
InChIKeyVVCYCVOHIXAEKT-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.04
Rot. Bonds4

About (2-amino-3-cyclopropyloxyphenyl)-phenylmethanone

(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone (PubChem CID 90086550) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2-amino-3-cyclopropyloxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone
PubChem CID90086550
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone
SMILESNc1c(OC2CC2)cccc1C(=O)c1ccccc1
InChIInChI=1S/C16H15NO2/c17-15-13(16(18)11-5-2-1-3-6-11)7-4-8-14(15)19-12-9-10-12/h1-8,12H,9-10,17H2
InChIKeyVVCYCVOHIXAEKT-UHFFFAOYSA-N
XLogP3.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 107469288
1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone
CID 90082972
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide
CID 114341723
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide
CID 163524571
2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide
CID 113333363
2-amino-3-(oxolan-3-yloxy)benzoic acid
CID 115547271
2-amino-3-(3-methylcyclohexyl)oxybenzamide
CID 115547097
amino 2-benzoylbenzoate
CID 19737509
1-[2-(4-aminocyclohexyl)oxyphenyl]ethanone
CID 117051794
(2-aminophenyl)-phenylmethanone
CID 158207972

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-cyclopropyloxyphenyl)-phenylmethanone?
The IUPAC name of (2-amino-3-cyclopropyloxyphenyl)-phenylmethanone (CID 90086550) is (2-amino-3-cyclopropyloxyphenyl)-phenylmethanone.
What is the SMILES notation for (2-amino-3-cyclopropyloxyphenyl)-phenylmethanone?
The canonical SMILES for (2-amino-3-cyclopropyloxyphenyl)-phenylmethanone is Nc1c(OC2CC2)cccc1C(=O)c1ccccc1.
What is the InChIKey of (2-amino-3-cyclopropyloxyphenyl)-phenylmethanone?
The InChIKey is VVCYCVOHIXAEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c17-15-13(16(18)11-5-2-1-3-6-11)7-4-8-14(15)19-12-9-10-12/h1-8,12H,9-10,17H2.
What are the key properties of (2-amino-3-cyclopropyloxyphenyl)-phenylmethanone?
(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone has a molecular weight of 253.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-cyclopropyloxyphenyl)-phenylmethanone is sourced from PubChem (CID 90086550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).