(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone

C17H19NO3 — CID 82265572

IUPAC(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
SMILESCOc1ccc(OC(C)C)cc1C(=O)c1ccc(N)cc1
InChIInChI=1S/C17H19NO3/c1-11(2)21-14-8-9-16(20-3)15(10-14)17(19)12-4-6-13(18)7-5-12/h4-11H,18H2,1-3H3
InChIKeyJGWGJVMFNJVSBJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.30
Rot. Bonds5

About (4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone

(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone (PubChem CID 82265572) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
PubChem CID82265572
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
SMILESCOc1ccc(OC(C)C)cc1C(=O)c1ccc(N)cc1
InChIInChI=1S/C17H19NO3/c1-11(2)21-14-8-9-16(20-3)15(10-14)17(19)12-4-6-13(18)7-5-12/h4-11H,18H2,1-3H3
InChIKeyJGWGJVMFNJVSBJ-UHFFFAOYSA-N
XLogP3.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339575
2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)propan-1-one
CID 46307670
(4-aminophenyl)-(2,5-diethoxyphenyl)methanone
CID 82267801
(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62919038
(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 10569527
(5-iodo-2-methoxyphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63490432
2-methoxy-5-propan-2-yloxyaniline
CID 10081024
2-(4-aminophenoxy)-1-(2,5-dimethoxyphenyl)butan-1-one
CID 46307671
[5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone
CID 154631055
N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
CID 1362819
4-methoxy-3-[[(4-propan-2-yloxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 27644258
methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate
CID 82553026

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone (CID 82265572) is (4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone is COc1ccc(OC(C)C)cc1C(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone?
The InChIKey is JGWGJVMFNJVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11(2)21-14-8-9-16(20-3)15(10-14)17(19)12-4-6-13(18)7-5-12/h4-11H,18H2,1-3H3.
What are the key properties of (4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone?
(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone has a molecular weight of 285.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 82265572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).