(3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone

C18H21NO2 — CID 82267577

IUPAC(3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone
SMILESCCCOc1c(C)cc(C)cc1C(=O)c1cccc(N)c1
InChIInChI=1S/C18H21NO2/c1-4-8-21-18-13(3)9-12(2)10-16(18)17(20)14-6-5-7-15(19)11-14/h5-7,9-11H,4,8,19H2,1-3H3
InChIKeyJKYRFUQYGYOFTA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.91
Rot. Bonds5

About (3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone

(3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone (PubChem CID 82267577) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone
PubChem CID82267577
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone
SMILESCCCOc1c(C)cc(C)cc1C(=O)c1cccc(N)c1
InChIInChI=1S/C18H21NO2/c1-4-8-21-18-13(3)9-12(2)10-16(18)17(20)14-6-5-7-15(19)11-14/h5-7,9-11H,4,8,19H2,1-3H3
InChIKeyJKYRFUQYGYOFTA-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone
CID 82263104
(3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82266056
(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681672
(3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone
CID 82263187
(2,4,6-trimethylphenyl)methyl 3-aminobenzoate
CID 62548298
methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate
CID 82551916
(2-benzoyl-4,6-dimethylphenyl) benzoate
CID 141250028
(4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone
CID 82266633
(3-aminophenyl)-(6-methyl-1,3-benzodioxol-5-yl)methanone
CID 116917269
(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
CID 139998072
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
(3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone
CID 95423867

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone (CID 82267577) is (3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone is CCCOc1c(C)cc(C)cc1C(=O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone?
The InChIKey is JKYRFUQYGYOFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-8-21-18-13(3)9-12(2)10-16(18)17(20)14-6-5-7-15(19)11-14/h5-7,9-11H,4,8,19H2,1-3H3.
What are the key properties of (3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone?
(3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone is sourced from PubChem (CID 82267577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).