(4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone

C15H22N2O — CID 152910434

IUPAC(4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(N)cc2)CC1(C)C
InChIInChI=1S/C15H22N2O/c1-14(2)9-17(10-15(14,3)4)13(18)11-5-7-12(16)8-6-11/h5-8H,9-10,16H2,1-4H3
InChIKeyLCVJDMVDAFCZAX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.78
Rot. Bonds1

About (4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone

(4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone (PubChem CID 152910434) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone
PubChem CID152910434
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(N)cc2)CC1(C)C
InChIInChI=1S/C15H22N2O/c1-14(2)9-17(10-15(14,3)4)13(18)11-5-7-12(16)8-6-11/h5-8H,9-10,16H2,1-4H3
InChIKeyLCVJDMVDAFCZAX-UHFFFAOYSA-N
XLogP2.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
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(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
(4-aminophenyl)-imidazolidin-1-ylmethanone;ethane
CID 153387560
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
(4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581074
[3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone
CID 123420430
2-[4-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]phenoxy]acetamide
CID 72852968
(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603575
(4-amino-2-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210580
(4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone
CID 123609497
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone (CID 152910434) is (4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone is CC1(C)CN(C(=O)c2ccc(N)cc2)CC1(C)C.
What is the InChIKey of (4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone?
The InChIKey is LCVJDMVDAFCZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-14(2)9-17(10-15(14,3)4)13(18)11-5-7-12(16)8-6-11/h5-8H,9-10,16H2,1-4H3.
What are the key properties of (4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone?
(4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3,3,4,4-tetramethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 152910434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).