(3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone

C18H21NO2 — CID 82267425

IUPAC(3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone
SMILESCCc1cc(OC(C)C)ccc1C(=O)c1cccc(N)c1
InChIInChI=1S/C18H21NO2/c1-4-13-11-16(21-12(2)3)8-9-17(13)18(20)14-6-5-7-15(19)10-14/h5-12H,4,19H2,1-3H3
InChIKeyTWQXAFGGYMPBTL-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.85
Rot. Bonds5

About (3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone

(3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone (PubChem CID 82267425) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone
PubChem CID82267425
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone
SMILESCCc1cc(OC(C)C)ccc1C(=O)c1cccc(N)c1
InChIInChI=1S/C18H21NO2/c1-4-13-11-16(21-12(2)3)8-9-17(13)18(20)14-6-5-7-15(19)10-14/h5-12H,4,19H2,1-3H3
InChIKeyTWQXAFGGYMPBTL-UHFFFAOYSA-N
XLogP3.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.85
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

propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate
CID 82552007
(2-amino-4-bromophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 116591865
4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid
CID 82267401
5-(2-ethyl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82267403
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 107944669
(3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82266056
(3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone
CID 82263187
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone (CID 82267425) is (3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone is CCc1cc(OC(C)C)ccc1C(=O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone?
The InChIKey is TWQXAFGGYMPBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-13-11-16(21-12(2)3)8-9-17(13)18(20)14-6-5-7-15(19)10-14/h5-12H,4,19H2,1-3H3.
What are the key properties of (3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone?
(3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 82267425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).