(3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone

C18H21NO2 — CID 39383239

IUPAC(3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cc1N
InChIInChI=1S/C18H21NO2/c1-18(2,3)14-8-5-12(6-9-14)17(20)13-7-10-16(21-4)15(19)11-13/h5-11H,19H2,1-4H3
InChIKeyNGXLAXWGNYDHGB-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.81
Rot. Bonds3

About (3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone

(3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone (PubChem CID 39383239) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone
PubChem CID39383239
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cc1N
InChIInChI=1S/C18H21NO2/c1-18(2,3)14-8-5-12(6-9-14)17(20)13-7-10-16(21-4)15(19)11-13/h5-11H,19H2,1-4H3
InChIKeyNGXLAXWGNYDHGB-UHFFFAOYSA-N
XLogP3.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.81
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

N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
2-(3-amino-4-methoxyphenyl)-2-methylpropanoic acid
CID 141045302
3-amino-4-methoxybenzoic acid;3,4-dimethoxyaniline
CID 158690022
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-methoxybenzamide
CID 61212548
[(Z)-1-aminoethylideneamino] 3-amino-4-methoxybenzoate
CID 127243813
3-(3-amino-4-methoxybenzoyl)oxy-2,2-dimethylpropanoic acid
CID 79619680
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide
CID 43498513
3-amino-4-methoxybenzenecarbothioamide
CID 91875277
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 50878680
(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 91678600

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone (CID 39383239) is (3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone is COc1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone?
The InChIKey is NGXLAXWGNYDHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)14-8-5-12(6-9-14)17(20)13-7-10-16(21-4)15(19)11-13/h5-11H,19H2,1-4H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone?
(3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 39383239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).